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 C1[C@H]2[C@@]([C@]3([C@H](C1)C)Oc1c(C3)cc(cc1C)OC(=O)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.
zoom in