input word = C00057023

Metabolite InformationStructural formula
Name Sandoricin
Formula C31H40O11
Mw 588.25706212
CAS RN 133585-55-4
C_ID C00057023
InChIKey FPZCLGWPFTXULY-AAZWCSCHSA-N
InChICode InChI=1S/C31H40O11/c1-15-19-11-23(40-17(3)33)30(7)26(18-9-10-38-14-18)41-27(36)25(35)31(15,30)42-22-13-21(39-16(2)32)28(4,5)20(29(19,22)6)12-24(34)37-8/h9-10,14,19-23,25-26,35H,1,11-13H2,2-8H3/t19-,20-,21-,22-,23-,25+,26-,29+,30-,31+/m0/s1
SMILES CC(O[C@H](C(C)(C)[C@@H]1CC(OC)=O)C[C@@]2([H])[C@]1(C)[C@@]3([H])C[C@H](OC(C)=O)[C@]([C@H](C4=COC=C4)OC([C@H]5O)=O)(C)[C@]5(C3=C)O2)=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMeliaceaeSandoricum koetjape Ref.
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