input word = C00056192

Metabolite InformationStructural formula
Name Triptergulide C
Formula C20H28O8
Mw 396.17841787
CAS RN 1661001-05-3
C_ID C00056192
InChIKey RXZVHRBGKHMEFW-JQPUCXJASA-N
InChICode InChI=1S/C20H28O8/c1-8(2)18(25)13(21)14(22)20(26)17(3)5-4-9-10(7-27-15(9)23)11(17)6-12-19(20,28-12)16(18)24/h8,11-14,16,21-22,24-26H,4-7H2,1-3H3/t11-,12-,13+,14+,16+,17-,18-,19+,20+/m0/s1
SMILES CC(C)[C@]1(O)[C@H](O)[C@@H](O)[C@]2(O)[C@]3(O[C@H]3C[C@H]3C4=C(CC[C@@]32C)C(=O)OC4)[C@@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCelastraceaeTripterygium wilfordii Ref.
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