input word = C00048546

Metabolite InformationStructural formula
Name Stypodiol diacetate
Formula C31H44O5
Mw 496.31887452
CAS RN 75578-63-1
C_ID C00048546 ,
InChIKey ISRQFIPAMDLIMC-UHFFFAOYNA-N
InChICode InChI=1S/C31H44O5/c1-18-15-23(34-20(3)32)16-22-17-31(36-27(18)22)19(2)9-10-25-29(7)13-12-26(35-21(4)33)28(5,6)24(29)11-14-30(25,31)8/h15-16,19,24-26H,9-14,17H2,1-8H3/t19-,24-,25+,26-,29+,30-,31-/m0/s1
SMILES CC(=O)Oc1cc(C)c2c(c1)CC1(O2)C(C)CCC2C3(C)CCC(OC(C)=O)C(C)(C)C3CCC21C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
ChromalveolataDictyotaceaeStypopodium flabelliforme Ref.
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OrganismStypopodium flabelliforme
ReferenceAreche,Phytochem.,70,(2009),1315