input word = C00013007

Metabolite InformationStructural formula
Name Inucrithmolide
[3R-[3alpha,3abeta,5alpha,5aalpha,6beta(Z),9aalpha,9bbeta]]-5-(Acetyloxy)-2,3,3a,4,5,5a,6,7,9a,9b-decahydro-3,5a,9-trimethyl-2-oxonaphtho[1,2-b]furan-6-yl ester 2-methyl-2-butenoic acid
Formula C22H30O6
Mw 390.20423869
CAS RN 79306-89-1
C_ID C00013007 ,
InChIKey AIRAUUXPYGGOPL-YIZHIFLANA-N
InChICode InChI=1S/C22H30O6/c1-7-11(2)20(24)27-16-9-8-12(3)18-19-15(13(4)21(25)28-19)10-17(22(16,18)6)26-14(5)23/h7-8,13,15-19H,9-10H2,1-6H3/b11-7-/t13-,15+,16+,17+,18+,19-,22+/m1/s1
SMILES [C@H]1([C@@]2([C@@H](C(=CC1)C)[C@H]1[C@@H](C[C@@H]2OC(=O)C)[C@H](C(=O)O1)C)C)OC(=O)/C(=C\C)/C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeInula crithmoides Ref.
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