input word = C00048547

Metabolite InformationStructural formula
Name Stypotriol triacetate
Formula C33H46O7
Mw 554.32435382
CAS RN 71103-04-3
C_ID C00048547 ,
InChIKey QYWYPTRFMCEXQU-AMKDRQOUNA-N
InChICode InChI=1S/C33H46O7/c1-18-16-24(37-20(3)34)29(39-22(5)36)23-17-33(40-28(18)23)19(2)10-11-26-31(8)14-13-27(38-21(4)35)30(6,7)25(31)12-15-32(26,33)9/h16,19,25-27H,10-15,17H2,1-9H3/t19-,25-,26+,27-,31-,32?,33-/m0/s1
SMILES CC(=O)Oc1cc(C)c2c(c1OC(C)=O)C[C@]1(O2)[C@@H](C)CC[C@@H]2[C@@]3(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]3CC[C@]21C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
ChromalveolataDictyotaceaeStypopodium flabelliforme Ref.
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