Mol:FL5FAANI0010
From Metabolomics.JP
(Difference between revisions)
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− | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
− | 31 33 0 0 0 0 0 0 0 0999 V2000 | + | 31 33 0 0 0 0 0 0 0 0999 V2000 |
− | -1.0760 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0760 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.0713 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0713 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.3731 -2.8916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3731 -2.8916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.3496 -2.4888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3496 -2.4888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.3604 -1.6630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3604 -1.6630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.3545 -1.2416 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3545 -1.2416 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.7865 -1.6774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7865 -1.6774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.0749 -1.2505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0749 -1.2505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.7742 -1.2335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7742 -1.2335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.4969 -1.6362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4969 -1.6362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.5062 -2.4646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5062 -2.4646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.8021 -2.8834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8021 -2.8834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.4988 -1.2504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4988 -1.2504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.4969 -0.4143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4969 -0.4143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.7837 0.0041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7837 0.0041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.0746 -0.4173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0746 -0.4173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.8021 -3.7084 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8021 -3.7084 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.3731 -3.7165 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3731 -3.7165 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.0641 -2.9013 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0641 -2.9013 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.2114 -1.2237 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2114 -1.2237 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.7742 -0.4085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7742 -0.4085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.4856 0.0023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4856 0.0023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.2114 -0.0018 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2114 -0.0018 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
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− | -3.1994 1.2411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1994 1.2411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.7704 1.2419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7704 1.2419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.7704 2.0665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7704 2.0665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.0558 2.4791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0558 2.4791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.0558 3.3040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0558 3.3040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.7702 3.7165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7702 3.7165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.3412 3.7165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3412 3.7165 0.0000 C 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 |
− | 1 3 1 0 0 0 0 | + | 1 3 1 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 2 1 0 0 0 0 | + | 6 2 1 0 0 0 0 |
− | 7 8 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
− | 8 5 1 0 0 0 0 | + | 8 5 1 0 0 0 0 |
− | 2 9 2 0 0 0 0 | + | 2 9 2 0 0 0 0 |
− | 9 10 1 0 0 0 0 | + | 9 10 1 0 0 0 0 |
− | 10 11 2 0 0 0 0 | + | 10 11 2 0 0 0 0 |
− | 11 12 1 0 0 0 0 | + | 11 12 1 0 0 0 0 |
− | 12 1 2 0 0 0 0 | + | 12 1 2 0 0 0 0 |
− | 7 13 2 0 0 0 0 | + | 7 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 8 2 0 0 0 0 | + | 16 8 2 0 0 0 0 |
− | 12 17 1 0 0 0 0 | + | 12 17 1 0 0 0 0 |
− | 3 18 2 0 0 0 0 | + | 3 18 2 0 0 0 0 |
− | 4 19 1 0 0 0 0 | + | 4 19 1 0 0 0 0 |
− | 10 20 1 0 0 0 0 | + | 10 20 1 0 0 0 0 |
− | 9 21 1 0 0 0 0 | + | 9 21 1 0 0 0 0 |
− | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
− | 23 14 1 0 0 0 0 | + | 23 14 1 0 0 0 0 |
− | 22 24 2 0 0 0 0 | + | 22 24 2 0 0 0 0 |
− | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
− | 24 26 1 0 0 0 0 | + | 24 26 1 0 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 29 2 0 0 0 0 | + | 28 29 2 0 0 0 0 |
− | 29 30 1 0 0 0 0 | + | 29 30 1 0 0 0 0 |
− | 29 31 1 0 0 0 0 | + | 29 31 1 0 0 0 0 |
− | S SKP 8 | + | S SKP 8 |
− | ID FL5FAANI0010 | + | ID FL5FAANI0010 |
− | KNApSAcK_ID C00013516 | + | KNApSAcK_ID C00013516 |
− | NAME Isomacarangin;8-[(2Z)-3,7-Dimethyl-2,6-octadienyl]-3,5,7-trihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one | + | NAME Isomacarangin;8-[(2Z)-3,7-Dimethyl-2,6-octadienyl]-3,5,7-trihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one |
− | CAS_RN 229470-28-4 | + | CAS_RN 229470-28-4 |
− | FORMULA C25H26O6 | + | FORMULA C25H26O6 |
− | EXACTMASS 422.172938564 | + | EXACTMASS 422.172938564 |
− | AVERAGEMASS 422.47033999999996 | + | AVERAGEMASS 422.47033999999996 |
− | SMILES CC(C)=CCCC(=CCc(c31)c(cc(O)c1C(=O)C(O)=C(O3)c(c2)ccc(c2)O)O)C | + | SMILES CC(C)=CCCC(=CCc(c31)c(cc(O)c1C(=O)C(O)=C(O3)c(c2)ccc(c2)O)O)C |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/ 31 33 0 0 0 0 0 0 0 0999 V2000 -1.0760 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0713 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3731 -2.8916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3496 -2.4888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3604 -1.6630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3545 -1.2416 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7865 -1.6774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0749 -1.2505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7742 -1.2335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4969 -1.6362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5062 -2.4646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8021 -2.8834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4988 -1.2504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4969 -0.4143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7837 0.0041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0746 -0.4173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8021 -3.7084 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3731 -3.7165 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0641 -2.9013 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2114 -1.2237 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7742 -0.4085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4856 0.0023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2114 -0.0018 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4856 0.8290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1994 1.2411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7704 1.2419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7704 2.0665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0558 2.4791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0558 3.3040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7702 3.7165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3412 3.7165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 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 2 1 0 0 0 0 7 8 1 0 0 0 0 8 5 1 0 0 0 0 2 9 2 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 12 1 2 0 0 0 0 7 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 8 2 0 0 0 0 12 17 1 0 0 0 0 3 18 2 0 0 0 0 4 19 1 0 0 0 0 10 20 1 0 0 0 0 9 21 1 0 0 0 0 21 22 1 0 0 0 0 23 14 1 0 0 0 0 22 24 2 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 2 0 0 0 0 29 30 1 0 0 0 0 29 31 1 0 0 0 0 S SKP 8 ID FL5FAANI0010 KNApSAcK_ID C00013516 NAME Isomacarangin;8-[(2Z)-3,7-Dimethyl-2,6-octadienyl]-3,5,7-trihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one CAS_RN 229470-28-4 FORMULA C25H26O6 EXACTMASS 422.172938564 AVERAGEMASS 422.47033999999996 SMILES CC(C)=CCCC(=CCc(c31)c(cc(O)c1C(=O)C(O)=C(O3)c(c2)ccc(c2)O)O)C M END