input word = C00013026

Metabolite InformationStructural formula
Name Badkhysidin
[3R-[3alpha,3abeta,5aalpha,6beta(Z),6abeta,7abeta,8abeta,8balpha]]-Dodecahydro-3,5a-dimethyl-8-methylene-2-oxooxireno[6,7]naphtho[1,2-b]furan-6-yl ester 2-methyl-2-butenoic acid
Formula C20H26O5
Mw 346.17802394
CAS RN 37551-59-0
C_ID C00013026 ,
InChIKey QCCGZVUJWVHEKE-UHFFFAOYNA-N
InChICode InChI=1S/C20H26O5/c1-6-9(2)18(21)25-17-16-14(23-16)11(4)13-15-12(7-8-20(13,17)5)10(3)19(22)24-15/h6,10,12-17H,4,7-8H2,1-3,5H3/b9-6+/t10-,12-,13-,14+,15+,16+,17+,20-/m0/s1
SMILES [C@@H]1([C@@]2([C@@H](C(=C)[C@@H]3[C@H]1O3)[C@H]1[C@@H](CC2)[C@@H](C(=O)O1)C)C)OC(=O)/C(=C/C)/C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApiaceaeFerula badhysi Ref.
PlantaeApiaceaeFerula badkhysi Ref.
PlantaeApiaceaeFerula oopoda Ref.
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OrganismFerula badkhysi
ReferenceSerkerov,Khim.Prir.Soedin.,(1972),176