input word = C00041499

Metabolite InformationStructural formula
Name Dichapetalin I
(+)-Dichapetalin I
Formula C38H50O6
Mw 602.36073933
CAS RN 876610-25-2
C_ID C00041499 ,
InChIKey OGIKSTYGXSTZFU-CCWQPZBLNA-N
InChICode InChI=1S/C38H50O6/c1-22(19-39)14-25-16-26(33(42)44-25)27-11-13-37-20-38(27,37)32(41)18-30-34(2)12-10-24-15-28(23-8-6-5-7-9-23)43-21-35(24,3)29(34)17-31(40)36(30,37)4/h5-10,14,25-32,39-41H,11-13,15-21H2,1-4H3/b22-14+/t25-,26-,27-,28-,29+,30+,31+,32+,34+,35-,36-,37+,38+/m0/s1
SMILES C1[C@H]2[C@]([C@@]34[C@@]([C@@H]1O)([C@@H](CC3)[C@H]1C(=O)O[C@H](C1)/C=C(\C)/CO)C4)([C@@H](C[C@@H]1[C@]2(CC=C2[C@@]1(CO[C@@H](C2)c1ccccc1)C)C)O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeDichapetalaceaeDichapetalum gelonioides Ref.
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OrganismDichapetalum gelonioides
ReferenceFang,J.Nat.Prod.,69,(2006),332