input word = C00048386

Metabolite InformationStructural formula
Name Epitaondiol diacetate
Formula C31H44O5
Mw 496.31887452
CAS RN 144539-75-3
C_ID C00048386 ,
InChIKey GSOQDUALHDCWOK-VSAHOWRWNA-N
InChICode InChI=1S/C31H44O5/c1-18-15-22(34-19(2)32)16-21-17-25-30(7)12-9-23-28(4,5)26(35-20(3)33)11-13-29(23,6)24(30)10-14-31(25,8)36-27(18)21/h15-16,23-26H,9-14,17H2,1-8H3/t23-,24+,25+,26-,29-,30+,31-/m0/s1
SMILES CC(=O)Oc1cc(C)c2c(c1)C[C@@H]1[C@]3(C)CC[C@H]4C(C)(C)[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@]1(C)O2
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
ChromalveolataDictyotaceaeStypopodium flabelliforme Ref.
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