input word = C00000972

Metabolite InformationStructural formula
Name Isochamaejasmin
Formula C30H22O10
Mw 542.12129692
CAS RN 93859-63-3
C_ID C00000972 ,
InChIKey RNQBLQALVMHBKH-SQYWJIFTNA-N
InChICode InChI=1S/C30H22O10/c31-15-5-1-13(2-6-15)29-25(27(37)23-19(35)9-17(33)11-21(23)39-29)26-28(38)24-20(36)10-18(34)12-22(24)40-30(26)14-3-7-16(32)8-4-14/h1-12,25-26,29-36H/t25-,26+,29+,30-
SMILES c1(cc(c2c(c1)O[C@@H]([C@H](C2=O)[C@H]1[C@@H](Oc2c(C1=O)c(cc(c2)O)O)c1ccc(cc1)O)c1ccc(cc1)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeThymelaeaceaeStellera chamaejasme Ref.
PlantaeThymelaeaceaeWikstroemia sikokiana Ref.
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