input word = C00012987

Metabolite InformationStructural formula
Name Trichomatolide E
[3aR-[3aalpha,4beta(E),5abeta,6beta,9aalpha,9bbeta]]-Dodecahydro-6-hydroxy-5a-methyl-3,9-bis(methylene)-2-oxonaphtho[1,2-b]furan-4-yl ester 2-(hydroxymethyl)-2-butenoic acid
Formula C20H26O6
Mw 362.17293856
CAS RN 94190-28-0
C_ID C00012987 ,
InChIKey GSFTYBWBSKQRGH-PDUFIBHGNA-N
InChICode InChI=1S/C20H26O6/c1-5-12(9-21)19(24)25-13-8-20(4)14(22)7-6-10(2)16(20)17-15(13)11(3)18(23)26-17/h5,13-17,21-22H,2-3,6-9H2,1,4H3/b12-5+/t13-,14-,15-,16-,17+,20+/m1/s1
SMILES [C@@H]1([C@]2([C@H](C(=C)CC1)[C@@H]1[C@@H]([C@@H](C2)OC(=O)/C(=C/C)/CO)C(=C)C(=O)O1)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeCalea trichomata Ref.
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