input word = C00041002

Metabolite InformationStructural formula
Name Humilinolide D
Formula C31H38O11
Mw 586.24141206
CAS RN 152110-07-1
C_ID C00041002 ,
InChIKey CJRRTSUMKVNBCH-UHFFFAOYNA-N
InChICode InChI=1S/C31H38O11/c1-15(32)40-22(25(35)38-7)23-28(3,4)27(41-16(2)33)31(37)13-18-19(30(23,6)26(31)36)8-10-29(5)20(18)12-21(34)42-24(29)17-9-11-39-14-17/h9,11,13-14,19-20,22-24,27,37H,8,10,12H2,1-7H3/t19-,20+,22-,23+,24-,27+,29-,30-,31+/m1/s1
SMILES C1=C2[C@H]([C@@]3([C@H](C([C@@H]([C@@]1(O)C3=O)OC(=O)C)(C)C)[C@H](C(=O)OC)OC(=O)C)C)CC[C@@]1([C@H]2CC(=O)O[C@@H]1c1cocc1)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMeliaceaeSwietenia humilis Zucc. Ref.
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OrganismSwietenia humilis Zucc.
ReferenceJimenez,Phytochem.,49,(1998),1981