input word = C00036096

Metabolite InformationStructural formula
Name Cornutin B
(+)-Cornutin B
Formula C22H28O7
Mw 404.18350325
CAS RN 138182-06-6
C_ID C00036096 ,
InChIKey KGKAZCQJULPZCQ-VUENUZLCNA-N
InChICode InChI=1S/C22H28O7/c1-11-5-17(28-12(2)23)21(4)19-14(7-16(24)22(21)10-27-22)29-15(8-20(11,19)3)13-6-18(25)26-9-13/h6,11,14-15,17,19H,5,7-10H2,1-4H3/t11-,14-,15+,17+,19-,20+,21-,22-/m1/s1
SMILES [C@@]12([C@]3([C@@H]4[C@@H](CC1=O)O[C@@H](C[C@]4([C@@H](C[C@@H]3OC(=O)C)C)C)C1=CC(=O)OC1)C)CO2
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeCornutia grandifolia var.intermedia Ref.
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