input word = C00048289

Metabolite InformationStructural formula
Name 4'-Chlorostypotriol triacetate
Formula C33H45ClO7
Mw 588.2853815
CAS RN 1188421-79-5
C_ID C00048289 ,
InChIKey OHSXYLUZFINYQX-SAOHGRTMNA-N
InChICode InChI=1S/C33H45ClO7/c1-17-10-11-24-31(8)14-13-25(38-19(3)35)30(6,7)23(31)12-15-32(24,9)33(17)16-22-27(41-33)18(2)26(34)29(40-21(5)37)28(22)39-20(4)36/h17,23-25H,10-16H2,1-9H3/t17-,23-,24+,25-,31-,32+,33-/m0/s1
SMILES CC(=O)Oc1c(Cl)c(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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