input word = C00036103

Metabolite InformationStructural formula
Name Cornutin I
(+)-Cornutin I
Formula C20H26O4
Mw 330.18310932
CAS RN 630102-45-3
C_ID C00036103 ,
InChIKey YVLGLKBVQAHOHD-PDAQNEGGNA-N
InChICode InChI=1S/C20H26O4/c1-12-9-17-20(3)14(18(22)24-17)5-4-6-16(20)19(12,2)10-15(21)13-7-8-23-11-13/h7-8,11-12,14,16-17H,4-6,9-10H2,1-3H3/t12-,14+,16-,17+,19+,20+/m1/s1
SMILES C[C@@H]1C[C@@H]2OC(=O)[C@@H]3CCC[C@H]([C@@]1(C)CC(=O)c1ccoc1)[C@@]23C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeCornutia grandifolia var.intermedia Ref.
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