Ojima:PR100465p

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All Molecules KOX PR PBX COX

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Petunidin-3-O-(6-O-(4'-O-E-coum)-alpha-rhamnopyranosyl-beta-glucopyranosyl)-5-O-beta-glucopyranoside

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MassBank	Petunidin-3-O-(6-O-(4'-O-E-coum)-alpha-rhamnopyranosyl-beta-glucopyranosyl)-5-O-beta-glucopyranoside
CAS	106863-71-2
Keio ID

Top 10 Similar Molecules of Petunidin-3-O-(6-O-(4'-O-E-coum)-alpha-rhamnopyranosyl-beta-glucopyranosyl)-5-O-beta-glucopyranoside

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。

PR100465p	933 C43H49O23	771 C37H39O18	479 C22H23O12	317 C16H13O7	302 C15H10O7
933 C43H49O23
771 C37H39O18	C6H10O5
479 C22H23O12	C21H26O11	C15H16O6
317 C16H13O7	C27H36O16	C21H26O11	C6H10O5
302 C15H10O7	C28H39O16	C22H29O11	C7H13O5	CH3

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