input word = C00036105

Metabolite InformationStructural formula
Name Cornutin K
(+)-Cornutin K
Formula C22H30O5
Mw 374.20932407
CAS RN 630102-47-5
C_ID C00036105 ,
InChIKey ANOFHMQPLUCEOM-FLPACLBTNA-N
InChICode InChI=1S/C22H30O5/c1-14-12-19(27-15(2)23)22(4)17(20(24)25)6-5-7-18(22)21(14,3)10-8-16-9-11-26-13-16/h8-11,13-14,17-19H,5-7,12H2,1-4H3,(H,24,25)/b10-8+/t14-,17-,18+,19+,21-,22-/m1/s1
SMILES [C@H]1(C[C@@H]([C@]2([C@H]([C@@]1(/C=C/c1cocc1)C)CCC[C@@H]2C(=O)O)C)OC(=O)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeCornutia grandifolia var.intermedia Ref.
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