input word = C00012986

Metabolite InformationStructural formula
Name Trichomatolide D
(3aR,4R,5aR,6R,9aS,9bR)-[partial]-Dodecahydro-6-hydroxy-5a-methyl-3,9-bis(methylene)-2-oxonaphtho[1,2-b]furan-4-yl ester 3-hydroxy-2-methylenebutanoic acid
Formula C20H26O6
Mw 362.17293856
CAS RN 94190-29-1
C_ID C00012986 ,
InChIKey VJRYIIQKNCTAMU-UHFFFAOYNA-N
InChICode InChI=1S/C20H26O6/c1-9-6-7-14(22)20(5)8-13(25-18(23)10(2)12(4)21)15-11(3)19(24)26-17(15)16(9)20/h12-17,21-22H,1-3,6-8H2,4-5H3/t12-,13-,14-,15+,16-,17+,20+/m0/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@@H](O)C)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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