input word = C00041000

Metabolite InformationStructural formula
Name Humilinolide B
Formula C33H42O12
Mw 630.26762681
CAS RN 152110-05-9
C_ID C00041000 ,
InChIKey NBEGFUHGXDAIPD-UHFFFAOYNA-N
InChICode InChI=1S/C33H42O12/c1-15(2)24(36)44-27-29(4,5)22(21(25(37)40-8)42-16(3)34)31(7)18-9-11-30(6)19(33(18)28(45-33)32(27,39)26(31)38)13-20(35)43-23(30)17-10-12-41-14-17/h10,12,14-15,18-19,21-23,27-28,39H,9,11,13H2,1-8H3/t18-,19+,21+,22+,23+,27+,28-,30-,31-,32+,33-/m0/s1
SMILES COC(=O)C(OC(C)=O)C1C(C)(C)C(OC(=O)C(C)C)C2(O)C(=O)C1(C)C1CCC3(C)C(c4ccoc4)OC(=O)CC3C13OC23
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMeliaceaeSwietenia humilis Zucc. Ref.
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