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 C1[C@H]2[C@]([C@@H]3[C@](C1)(Oc1c(C3)cc(cc1C)OC(=O)C)C)(CC[C@@H]1[C@@]2(CC[C@@H](C1(C)C)OC(=O)C)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
ChromalveolataDictyotaceaeStypopodium flabelliforme Ref.
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