Mol:FL5FACGA0031
From Metabolomics.JP
(Difference between revisions)
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− | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
− | 44 48 0 0 0 0 0 0 0 0999 V2000 | + | 44 48 0 0 0 0 0 0 0 0999 V2000 |
− | -2.7968 0.8678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7968 0.8678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.7968 0.2254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7968 0.2254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.2405 -0.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2405 -0.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.6842 0.2254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6842 0.2254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.6842 0.8678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6842 0.8678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.2405 1.1889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2405 1.1889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.1279 -0.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1279 -0.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.5716 0.2254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5716 0.2254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.5716 0.8678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5716 0.8678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.1279 1.1889 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1279 1.1889 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.1279 -0.5966 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1279 -0.5966 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.0155 1.1888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0155 1.1888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.5514 0.8615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5514 0.8615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.1184 1.1888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1184 1.1888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.1184 1.8435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1184 1.8435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.5514 2.1708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5514 2.1708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.0155 1.8435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0155 1.8435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.2405 -0.7379 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2405 -0.7379 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.9121 2.2228 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9121 2.2228 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.2918 1.1889 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2918 1.1889 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.0422 -0.1290 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0422 -0.1290 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.5514 2.8253 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5514 2.8253 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.8143 0.3509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8143 0.3509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.2567 -0.2331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2567 -0.2331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.8938 0.0147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8938 0.0147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.6729 0.0634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6729 0.0634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.0618 0.4681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0618 0.4681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.5045 0.1739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5045 0.1739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.5670 -0.2666 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5670 -0.2666 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.2588 -0.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2588 -0.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.6729 -0.6406 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6729 -0.6406 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.5670 -1.0955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5670 -1.0955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.0671 -1.3842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0671 -1.3842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.1946 -1.3105 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1946 -1.3105 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.0671 -1.9609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0671 -1.9609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.5665 -2.2492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5665 -2.2492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.0659 -1.9609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0659 -1.9609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.0659 -1.3842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0659 -1.3842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.5665 -1.0959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5665 -1.0959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.5665 -2.8253 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5665 -2.8253 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.5648 -2.2490 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5648 -2.2490 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.5648 -1.0962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5648 -1.0962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.5773 0.4957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5773 0.4957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.2918 0.0832 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2918 0.0832 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1 2 1 0 0 0 0 | + | 1 2 1 0 0 0 0 |
− | 2 3 2 0 0 0 0 | + | 2 3 2 0 0 0 0 |
− | 3 4 1 0 0 0 0 | + | 3 4 1 0 0 0 0 |
− | 4 5 2 0 0 0 0 | + | 4 5 2 0 0 0 0 |
− | 5 6 1 0 0 0 0 | + | 5 6 1 0 0 0 0 |
− | 6 1 2 0 0 0 0 | + | 6 1 2 0 0 0 0 |
− | 4 7 1 0 0 0 0 | + | 4 7 1 0 0 0 0 |
− | 7 8 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
− | 8 9 2 0 0 0 0 | + | 8 9 2 0 0 0 0 |
− | 9 10 1 0 0 0 0 | + | 9 10 1 0 0 0 0 |
− | 10 5 1 0 0 0 0 | + | 10 5 1 0 0 0 0 |
− | 7 11 2 0 0 0 0 | + | 7 11 2 0 0 0 0 |
− | 9 12 1 0 0 0 0 | + | 9 12 1 0 0 0 0 |
− | 12 13 2 0 0 0 0 | + | 12 13 2 0 0 0 0 |
− | 13 14 1 0 0 0 0 | + | 13 14 1 0 0 0 0 |
− | 14 15 2 0 0 0 0 | + | 14 15 2 0 0 0 0 |
− | 15 16 1 0 0 0 0 | + | 15 16 1 0 0 0 0 |
− | 16 17 2 0 0 0 0 | + | 16 17 2 0 0 0 0 |
− | 17 12 1 0 0 0 0 | + | 17 12 1 0 0 0 0 |
− | 3 18 1 0 0 0 0 | + | 3 18 1 0 0 0 0 |
− | 19 15 1 0 0 0 0 | + | 19 15 1 0 0 0 0 |
− | 20 1 1 0 0 0 0 | + | 20 1 1 0 0 0 0 |
− | 21 8 1 0 0 0 0 | + | 21 8 1 0 0 0 0 |
− | 16 22 1 0 0 0 0 | + | 16 22 1 0 0 0 0 |
− | 23 24 1 1 0 0 0 | + | 23 24 1 1 0 0 0 |
− | 24 25 1 1 0 0 0 | + | 24 25 1 1 0 0 0 |
− | 26 25 1 1 0 0 0 | + | 26 25 1 1 0 0 0 |
− | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
− | 27 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
− | 28 23 1 0 0 0 0 | + | 28 23 1 0 0 0 0 |
− | 24 29 1 0 0 0 0 | + | 24 29 1 0 0 0 0 |
− | 25 30 1 0 0 0 0 | + | 25 30 1 0 0 0 0 |
− | 21 23 1 0 0 0 0 | + | 21 23 1 0 0 0 0 |
− | 26 31 1 0 0 0 0 | + | 26 31 1 0 0 0 0 |
− | 29 32 1 0 0 0 0 | + | 29 32 1 0 0 0 0 |
− | 32 33 1 0 0 0 0 | + | 32 33 1 0 0 0 0 |
− | 32 34 2 0 0 0 0 | + | 32 34 2 0 0 0 0 |
− | 33 35 2 0 0 0 0 | + | 33 35 2 0 0 0 0 |
− | 35 36 1 0 0 0 0 | + | 35 36 1 0 0 0 0 |
− | 36 37 2 0 0 0 0 | + | 36 37 2 0 0 0 0 |
− | 37 38 1 0 0 0 0 | + | 37 38 1 0 0 0 0 |
− | 38 39 2 0 0 0 0 | + | 38 39 2 0 0 0 0 |
− | 39 33 1 0 0 0 0 | + | 39 33 1 0 0 0 0 |
− | 36 40 1 0 0 0 0 | + | 36 40 1 0 0 0 0 |
− | 37 41 1 0 0 0 0 | + | 37 41 1 0 0 0 0 |
− | 38 42 1 0 0 0 0 | + | 38 42 1 0 0 0 0 |
− | 27 43 1 0 0 0 0 | + | 27 43 1 0 0 0 0 |
− | 43 44 1 0 0 0 0 | + | 43 44 1 0 0 0 0 |
− | M STY 1 1 SUP | + | M STY 1 1 SUP |
− | M SLB 1 1 1 | + | M SLB 1 1 1 |
− | M SAL 1 2 43 44 | + | M SAL 1 2 43 44 |
− | M SBL 1 1 47 | + | M SBL 1 1 47 |
− | M SMT 1 CH2OH | + | M SMT 1 CH2OH |
− | M SBV 1 47 -4.7109 3.5766 | + | M SBV 1 47 -4.7109 3.5766 |
− | S SKP 8 | + | S SKP 8 |
− | ID FL5FACGA0031 | + | ID FL5FACGA0031 |
− | KNApSAcK_ID C00005950 | + | KNApSAcK_ID C00005950 |
− | NAME Quercetin 3-(2''-galloylgalactoside) | + | NAME Quercetin 3-(2''-galloylgalactoside) |
− | CAS_RN - | + | CAS_RN - |
− | FORMULA C28H24O16 | + | FORMULA C28H24O16 |
− | EXACTMASS 616.1064347199999 | + | EXACTMASS 616.1064347199999 |
− | AVERAGEMASS 616.48056 | + | AVERAGEMASS 616.48056 |
− | SMILES O=C(c(c5)cc(O)c(O)c5O)OC(C4O)C(OC(CO)C4O)OC(C(=O)1)=C(c(c3)cc(c(c3)O)O)Oc(c2)c(c(cc(O)2)O)1 | + | SMILES O=C(c(c5)cc(O)c(O)c5O)OC(C4O)C(OC(CO)C4O)OC(C(=O)1)=C(c(c3)cc(c(c3)O)O)Oc(c2)c(c(cc(O)2)O)1 |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/ 44 48 0 0 0 0 0 0 0 0999 V2000 -2.7968 0.8678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7968 0.2254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2405 -0.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6842 0.2254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6842 0.8678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2405 1.1889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1279 -0.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5716 0.2254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5716 0.8678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1279 1.1889 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1279 -0.5966 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0155 1.1888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5514 0.8615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1184 1.1888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1184 1.8435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5514 2.1708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0155 1.8435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2405 -0.7379 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9121 2.2228 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2918 1.1889 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0422 -0.1290 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5514 2.8253 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8143 0.3509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2567 -0.2331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8938 0.0147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6729 0.0634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0618 0.4681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5045 0.1739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5670 -0.2666 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2588 -0.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6729 -0.6406 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5670 -1.0955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0671 -1.3842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1946 -1.3105 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0671 -1.9609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5665 -2.2492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0659 -1.9609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0659 -1.3842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5665 -1.0959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5665 -2.8253 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5648 -2.2490 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5648 -1.0962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5773 0.4957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2918 0.0832 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 6 1 2 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 7 11 2 0 0 0 0 9 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 17 12 1 0 0 0 0 3 18 1 0 0 0 0 19 15 1 0 0 0 0 20 1 1 0 0 0 0 21 8 1 0 0 0 0 16 22 1 0 0 0 0 23 24 1 1 0 0 0 24 25 1 1 0 0 0 26 25 1 1 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 23 1 0 0 0 0 24 29 1 0 0 0 0 25 30 1 0 0 0 0 21 23 1 0 0 0 0 26 31 1 0 0 0 0 29 32 1 0 0 0 0 32 33 1 0 0 0 0 32 34 2 0 0 0 0 33 35 2 0 0 0 0 35 36 1 0 0 0 0 36 37 2 0 0 0 0 37 38 1 0 0 0 0 38 39 2 0 0 0 0 39 33 1 0 0 0 0 36 40 1 0 0 0 0 37 41 1 0 0 0 0 38 42 1 0 0 0 0 27 43 1 0 0 0 0 43 44 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 43 44 M SBL 1 1 47 M SMT 1 CH2OH M SBV 1 47 -4.7109 3.5766 S SKP 8 ID FL5FACGA0031 KNApSAcK_ID C00005950 NAME Quercetin 3-(2''-galloylgalactoside) CAS_RN - FORMULA C28H24O16 EXACTMASS 616.1064347199999 AVERAGEMASS 616.48056 SMILES O=C(c(c5)cc(O)c(O)c5O)OC(C4O)C(OC(CO)C4O)OC(C(=O)1)=C(c(c3)cc(c(c3)O)O)Oc(c2)c(c(cc(O)2)O)1 M END