input word = C00038810

Metabolite InformationStructural formula
Name Coagulin P
(+)-Coagulin P
Formula C34H48O11
Mw 632.31966238
CAS RN 261637-25-6
C_ID C00038810 ,
InChIKey MYQCFMBWOQTIOW-IMLVWARNNA-N
InChICode InChI=1S/C34H48O11/c1-16-11-26(45-30(41)20(16)14-35)34(4,42)24-8-7-21-19-6-5-17-12-18(43-31-29(40)28(39)27(38)23(15-36)44-31)13-25(37)33(17,3)22(19)9-10-32(21,24)2/h7,12,18-19,22-24,26-29,31,35-36,38-40,42H,5-6,8-11,13-15H2,1-4H3/t18-,19+,22+,23-,24+,26-,27-,28+,29-,31-,32+,33+,34-/m1/s1
SMILES CC1=C(CO)C(=O)O[C@@H]([C@](C)(O)[C@H]2CC=C3[C@@H]4CCC5=C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)CC(=O)[C@]5(C)[C@H]4CC[C@@]32C)C1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSolanaceaeWithania coagulans Ref.
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OrganismWithania coagulans
ReferenceAtta-ur-Rahman,Phytochem.,52,(1999),1361