input word = C00030638

Metabolite InformationStructural formula
Name Lappaol F
(+)-Lappaol F
Formula C40H42O12
Mw 714.26762681
CAS RN 69394-17-8
C_ID C00030638 ,
InChIKey YXNKOCZXAVTXTG-OXHLKWRSNA-N
InChICode InChI=1S/C40H42O12/c1-46-32-15-22(5-7-30(32)43)36-28(17-41)26-11-20(13-34(48-3)38(26)51-36)9-24-19-50-40(45)25(24)10-21-12-27-29(18-42)37(52-39(27)35(14-21)49-4)23-6-8-31(44)33(16-23)47-2/h5-8,11-16,24-25,28-29,36-37,41-44H,9-10,17-19H2,1-4H3/t24-,25+,28+,29-,36+,37+/m0/s1
SMILES COc1cc([C@H]2Oc3c(OC)cc(C[C@H]4COC(=O)[C@@H]4Cc4cc(OC)c5c(c4)[C@H](CO)[C@@H](c4ccc(O)c(OC)c4)O5)cc3[C@@H]2CO)ccc1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeArctium lappa Ref.
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