input word = C00004210

Metabolite InformationStructural formula
Name Acacetin 7-(4'''-acetylrutinoside)
Linarin monoacetate
7-[[6-O-(4-O-acetyl-6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl]oxy]-5-hydroxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one
Formula C30H34O15
Mw 634.18977042
CAS RN 79541-06-3
C_ID C00004210 ,
InChIKey QZOBONFUOPKXNI-BNZLMPRJNA-N
InChICode InChI=1S/C30H34O15/c1-12-28(42-13(2)31)25(36)27(38)29(41-12)40-11-21-23(34)24(35)26(37)30(45-21)43-16-8-17(32)22-18(33)10-19(44-20(22)9-16)14-4-6-15(39-3)7-5-14/h4-10,12,21,23-30,32,34-38H,11H2,1-3H3/t12-,21-,23+,24+,25-,26-,27-,28+,29-,30-/m1/s1
SMILES c1(cc(c2c(c1)oc(cc2=O)c1ccc(cc1)OC)O)O[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)C)OC(=O)C)O)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRanunculaceaeThalictrum aquilegifolium Ref.
PlantaeRanunculaceaeThalictrum przewalskii Ref.
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OrganismThalictrum aquilegifolium
ReferenceHarborne, The Handbook of Natural Flavonoids, 1, (1999), 3.Flavone O-glycosides, John Wiley & Son

Ina,Phytochem.,20,(1981),1176