input word = C00040998

Metabolite InformationStructural formula
Name Humilin B
Formula C31H40O10
Mw 572.2621475
CAS RN 205683-99-4
C_ID C00040998 ,
InChIKey LOOFGUAWTZPQEG-MZQYAUOVNA-N
InChICode InChI=1S/C31H40O10/c1-15(2)23(34)40-25-27(3,4)18(12-20(32)37-7)29(6)17-8-10-28(5)19(31(17)26(41-31)30(25,36)24(29)35)13-21(33)39-22(28)16-9-11-38-14-16/h9,11,14-15,17-19,22,25-26,36H,8,10,12-13H2,1-7H3/t17-,18+,19-,22+,25+,26-,28-,29-,30+,31-/m1/s1
SMILES [C@H]12[C@]3([C@@H]([C@@]4([C@H](C([C@@H]([C@@]1(O)C4=O)OC(=O)C(C)C)(C)C)CC(=O)OC)C)CC[C@@]1([C@H]3CC(=O)O[C@H]1c1cocc1)C)O2
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMeliaceaeSwietenia humilis Zucc. Ref.
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