input word = C00036104

Metabolite InformationStructural formula
Name Cornutin J
(+)-Cornutin J
Formula C22H34O8
Mw 426.22536806
CAS RN 630102-46-4
C_ID C00036104 ,
InChIKey DOMHCLIJRKCLHA-RTFFDNPRNA-N
InChICode InChI=1S/C22H34O8/c1-12-7-17(26)21(4)19(20(12,3)9-15(25)14-5-6-29-10-14)16(30-13(2)24)8-18(27)22(21,28)11-23/h5-6,10,12,15-19,23,25-28H,7-9,11H2,1-4H3/t12-,15+,16-,17+,18+,19-,20+,21-,22-/m1/s1
SMILES CC(=O)O[C@@H]1C[C@H](O)[C@](O)(CO)[C@@]2(C)[C@H]1[C@@](C)(C[C@H](O)c1ccoc1)[C@H](C)C[C@@H]2O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeCornutia grandifolia var.intermedia Ref.
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