input word = C00012476

Metabolite InformationStructural formula
Name 6,10,10-Trimethylspiro[bicyclo[7.2.0]undec-5-ene-2,2'-oxirane]-4,8-diol 4-acetate 8-benzoate
Formula C24H30O5
Mw 398.20932407
CAS RN 77396-70-4
C_ID C00012476 ,
InChIKey SQOGHDPATRJCFB-XNTDXEJSNA-N
InChICode InChI=1S/C24H30O5/c1-15-10-18(28-16(2)25)12-24(14-27-24)19-13-23(3,4)21(19)20(11-15)29-22(26)17-8-6-5-7-9-17/h5-10,18-21H,11-14H2,1-4H3/b15-10+/t18-,19-,20+,21-,24-/m1/s1
SMILES CC(=O)OC1/C=C(C)CC(OC(=O)c2ccccc2)C2C(CC2(C)C)C2(CO2)C1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeSolidago nemoralis Ref.
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