input word = C00060339

Metabolite InformationStructural formula
Name 3-[(6-O-Acetyl-beta-D-glucopyranosyl)oxy]-5,7-dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-4H-1-benzopyran-4-one
Formula C25H26O14
Mw 550.13225554
CAS RN 171743-45-6
C_ID C00060339
InChIKey IOLRVMUSXRTPCM-LRNMXWLESA-N
InChICode InChI=1S/C25H26O14/c1-9(26)36-8-16-19(30)21(32)22(33)25(38-16)39-24-20(31)17-12(28)6-11(27)7-13(17)37-23(24)10-4-14(34-2)18(29)15(5-10)35-3/h4-7,16,19,21-22,25,27-30,32-33H,8H2,1-3H3/t16-,19-,21+,22-,25+/m1/s1
SMILES COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2OC2OC(COC(C)=O)C(O)C(O)C2O)cc(OC)c1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePinaceaePicea abies Ref.
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OrganismPicea abies
Referencehttps://doi.org/10.1002/(SICI)1099-1565(199601)7:1<42::AID-PCA282>3.0.CO

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