input word = C00041003

Metabolite InformationStructural formula
Name Humilinolide E
(-)-Humilinolide E
Formula C34H42O11
Mw 626.27271219
CAS RN 220861-99-4
C_ID C00041003 ,
InChIKey KQJNENMKRYMNJO-HCNWCZTGNA-N
InChICode InChI=1S/C34H42O11/c1-9-17(2)27(37)45-30-31(4,5)25(24(28(38)41-8)43-18(3)35)33(7)21-10-12-32(6)22(20(21)15-34(30,40)29(33)39)14-23(36)44-26(32)19-11-13-42-16-19/h9,11,13,15-16,21-22,24-26,30,40H,10,12,14H2,1-8H3/b17-9+/t21-,22+,24+,25-,26-,30-,32+,33+,34-/m0/s1
SMILES C/C=C(C)C(=O)O[C@H]1C(C)(C)[C@H]([C@@H](OC(C)=O)C(=O)OC)[C@]2(C)C(=O)[C@@]1(O)C=C1[C@H]3CC(=O)O[C@@H](c4ccoc4)[C@]3(C)CC[C@@H]12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMeliaceaeSwietenia humilis Zucc. Ref.
zoom in