input word = C00040999

Metabolite InformationStructural formula
Name Humilinolide A
(-)-Humilinolide A
Formula C31H40O11
Mw 588.25706212
CAS RN 152110-04-8
C_ID C00040999 ,
InChIKey ADDLXGZBTXNVDS-UTVWHFTFNA-N
InChICode InChI=1S/C31H40O11/c1-14(2)22(34)41-25-27(3,4)20(19(33)23(35)38-7)29(6)16-8-10-28(5)17(31(16)26(42-31)30(25,37)24(29)36)12-18(32)40-21(28)15-9-11-39-13-15/h9,11,13-14,16-17,19-21,25-26,33,37H,8,10,12H2,1-7H3/t16-,17-,19-,20+,21+,25+,26-,28-,29-,30+,31-/m1/s1
SMILES COC(=O)[C@H](O)[C@H]1C(C)(C)[C@H](OC(=O)C(C)C)[C@@]2(O)C(=O)[C@]1(C)[C@H]1CC[C@]3(C)[C@@H](CC(=O)O[C@H]3c3ccoc3)[C@]13O[C@H]23
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMeliaceaeSwietenia humilis Zucc. Ref.
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