input word = C00042638

Metabolite InformationStructural formula
Name Isorabaichromone
Formula C29H32O12
Mw 572.18937649
CAS RN 194669-79-9
C_ID C00042638 ,
InChIKey DWFAOPWLORYRCM-MVERHACMNA-N
InChICode InChI=1S/C29H32O12/c1-13-8-20(38-3)24(27-23(13)19(34)11-16(39-27)9-14(2)31)28-29(26(37)25(36)21(12-30)40-28)41-22(35)7-5-15-4-6-17(32)18(33)10-15/h4-8,10-11,14,21,25-26,28-33,36-37H,9,12H2,1-3H3/b7-5+/t14-,21+,25+,26-,28-,29+/m0/s1
SMILES COc1cc(C)c2c(=O)cc(C[C@H](C)O)oc2c1[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)C1OC(=O)/C=C/c1ccc(O)c(O)c1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsphodelaceaeAloe vera Ref.
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