input word = C00013086

Metabolite InformationStructural formula
Name Trichomatolide B
[3aR-[3aalpha,4beta(E),5abeta,6beta,8alpha,9aalpha,9bbeta]]-Dodecahydro-6,8-dihydroxy-5a-methyl-3,9-bis(methylene)-2-oxonaphtho[1,2-b]furan-4-yl ester 2-methyl-2-butenoic acid
Formula C20H26O6
Mw 362.17293856
CAS RN 94190-31-5
C_ID C00013086 ,
InChIKey PPSCQOPUAPVDMR-KGOCOUGONA-N
InChICode InChI=1S/C20H26O6/c1-6-9(2)18(23)25-13-8-20(5)14(22)7-12(21)10(3)16(20)17-15(13)11(4)19(24)26-17/h6,12-17,21-22H,3-4,7-8H2,1-2,5H3/b9-6+/t12-,13-,14+,15-,16-,17+,20+/m1/s1
SMILES C=C1C(=O)O[C@H]2[C@H]1[C@H](OC(=O)/C(C)=C/C)C[C@@]1(C)C(O)C[C@@H](O)C(=C)[C@H]21
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeCalea trichomata Ref.
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