Ojima:PR100996n

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Quercetin-3-O-alpha-L-rhamnopyranosyl(1-2)-beta-D-glucopyranoside-7-O-alpha-L-rhamnopyranoside

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MassBank	Quercetin-3-O-alpha-L-rhamnopyranosyl(1-2)-beta-D-glucopyranoside-7-O-alpha-L-rhamnopyranoside
CAS	161993-01-7
Keio ID

Top 10 Similar Molecules of Quercetin-3-O-alpha-L-rhamnopyranosyl(1-2)-beta-D-glucopyranoside-7-O-alpha-L-rhamnopyranoside

Ranking	About scoring
	The similarity score between two molecules is defined as the sum of Shannon entropy of ionic formulas shared by the molecules: $\textstyle - \sum_{p\in shared} \log(\mbox{frequency}(p))$ 代謝物間の類似度スコアは、それらのスペクトルで共有される（アノテートされた）イオン式のシャノン情報量の総和です。

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Precursor-Product Relationship

About the PP Table (行列表示について)
The matrix is viewed columnwise. The topmost precursor ion in bold face produces the product ions beneath it. Each formula in matrix cells corresponds to the neutral loss. Blackout cells indicate products that cannot be derived, and orange cells indicate a structurally plausible link produced by cleaving a single chemical bond (in cases of ring-opening, two bonds).	行列は列方向に見ます。最上段太字の前駆イオン(precursor ion)が直下の生成イオン群(product ions)になると解釈します。 行列要素に書かれている組成式はニュートラルロスです。黒は前駆イオンから生成しえない関係、オレンジは分子構造における共有結合1本の切断（開環の場合は2本）で生じる関係を意味します。

PR100996n	755 C33H39O20	610 C27H30O16	609 C27H29O16	447 C21H19O11	446 C21H18O11	301 C15H9O7	300 C15H8O7	299 C15H7O7	271 C14H7O6
755 C33H39O20
610 C27H30O16	C6H9O4
609 C27H29O16	C6H10O4	H
447 C21H19O11	C12H20O9	C6H11O5	C6H10O5
446 C21H18O11	C12H21O9	C6H12O5	C6H11O5	H
301 C15H9O7	C18H30O13	C12H21O9	C12H20O9	C6H10O4	C6H9O4
300 C15H8O7	C18H31O13	C12H22O9	C12H21O9	C6H11O4	C6H10O4	H
299 C15H7O7	C18H32O13	C12H23O9	C12H22O9	C6H12O4	C6H11O4	H2	H
271 C14H7O6	C19H32O14	C13H23O10	C13H22O10	C7H12O5	C7H11O5	CH2O	CHO	CO

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