input word = C00017442

Metabolite InformationStructural formula
Name [4aR-[4aalpha,5alpha,6alpha(Z),8aalpha,9abeta]]-2,4,4a,5,6,7,8,8a,9,9a-Decahydro-8a-hydroxy-9a-methoxy-3,4a,5-trimethyl-2-oxonaphtho[2,3-b]furan-6-yl ester 2-methyl-2-butenoic acid
Formula C21H30O6
Mw 378.20423869
CAS RN 130395-61-8
C_ID C00017442 ,
InChIKey JEEFDVONXYYLJM-ZEQPOGMENA-N
InChICode InChI=1S/C21H30O6/c1-7-12(2)17(22)26-16-8-9-20(24)11-21(25-6)15(13(3)18(23)27-21)10-19(20,5)14(16)4/h7,14,16,24H,8-11H2,1-6H3/b12-7-/t14-,16-,19+,20-,21+/m0/s1
SMILES C1[C@@H]([C@@H]([C@@]2([C@](C1)(C[C@@]1(C(=C(C(=O)O1)C)C2)OC)O)C)C)OC(=O)/C(=C\C)/C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeHertia cheirifolia Ref.
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OrganismHertia cheirifolia
ReferenceMassiot,Phytochem.,29,(1990),2207