input word = C00012065

Metabolite InformationStructural formula
Name [1R-[1R*,2S*(Z),4S*,6R*,8R*(Z),9S*,10S*(Z),11R*]]-1,6-Dimethyl-9-(1-methylethenyl)-7-oxo-5,12-dioxatricyclo[9.1.0.04,6]dodecane-2,8,10-triyl ester 2-methyl-2-butenoic acid
Formula C30H40O9
Mw 544.26723288
CAS RN 64234-03-3
C_ID C00012065 ,
InChIKey BQGPHMLLUVSTFY-JQCVJDKENA-N
InChICode InChI=1S/C30H40O9/c1-11-16(6)26(32)35-19-14-20-29(9,38-20)24(31)22(36-27(33)17(7)12-2)21(15(4)5)23(25-30(19,10)39-25)37-28(34)18(8)13-3/h11-13,19-23,25H,4,14H2,1-3,5-10H3/b16-11-,17-12-,18-13-/t19-,20+,21+,22-,23-,25-,29+,30+/m0/s1
SMILES C=C(C)[C@@H]1C(OC(=O)/C(C)=CC)C(=O)C2(C)O[C@@H]2C[C@H](OC(=O)/C(C)=CC)[C@@]2(C)O[C@H]2[C@H]1OC(=O)/C(C)=CC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeLigularia spp. Ref.
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