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 C1[C@@H](C=C2[C@](C1=O)([C@@H]1[C@@H](CC2)C2=CC[C@@H]([C@]2(CC1)C)[C@@]([C@H]1CC(=C(C(=O)O1)CO)C)(C)O)C)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSolanaceaeWithania coagulans Ref.
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