input word = C00038811

Metabolite InformationStructural formula
Name Coagulin R
(+)-Coagulin R
Formula C28H38O6
Mw 470.26683895
CAS RN 261637-27-8
C_ID C00038811 ,
InChIKey WFSARGZWGKIMKD-WLYTUODGNA-N
InChICode InChI=1S/C28H38O6/c1-15-12-22(33-23(31)16(15)2)26(5)28(32)11-10-27(34-26)20-7-6-17-13-18(29)14-21(30)25(17,4)19(20)8-9-24(27,28)3/h13,18-20,22,29,32H,6-12,14H2,1-5H3/t18-,19+,20-,22-,24+,25+,26+,27-,28+/m1/s1
SMILES CC1=C(C)C(=O)O[C@@H]([C@]2(C)O[C@@]34CC[C@]2(O)[C@@]3(C)CC[C@H]2[C@H]4CCC3=C[C@@H](O)CC(=O)[C@@]32C)C1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSolanaceaeWithania coagulans Ref.
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