input word = C00012951

Metabolite InformationStructural formula
Name [3aR-[3aalpha,4alpha(E),6beta,8alpha,8aalpha,9aalpha]]-6-(Acetyloxy)-2,3,3a,4,6,7,8,8a,9,9a-Decahydro-8-hydroxy-5,8a-dimethyl-3-methylene-2-oxonaphtho[2,3-b]furan-4-yl ester 2-methyl-2-butenoic acid
Formula C22H28O7
Mw 404.18350325
CAS RN 86918-90-3
C_ID C00012951 ,
InChIKey OTTWZDCAZFMZMY-AVUSMUERNA-N
InChICode InChI=1S/C22H28O7/c1-7-10(2)20(25)29-19-17-12(4)21(26)28-15(17)9-22(6)16(24)8-14(27-13(5)23)11(3)18(19)22/h7,14-17,19,24H,4,8-9H2,1-3,5-6H3/b10-7+/t14-,15+,16-,17-,19-,22?/m0/s1
SMILES C1(=C2[C@@]([C@H](C[C@@H]1OC(=O)C)O)(C[C@@H]1[C@@H]([C@@H]2OC(=O)/C(=C/C)/C)C(=C)C(=O)O1)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeSteiractinia mollis Ref.
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OrganismSteiractinia mollis
ReferenceBohlmann,Justus Liebigs Ann.Chem.,(1983),962