input word = C00040862

Metabolite InformationStructural formula
Name Adenanthin
Formula C26H34O9
Mw 490.22028269
CAS RN 85873-93-4
C_ID C00040862 ,
InChIKey BAVBEFCVSUJVKK-QOGGUQRUNA-N
InChICode InChI=1S/C26H34O9/c1-11-15-8-17(33-12(2)27)21-25(7)19(34-13(3)28)9-18(31)24(5,6)20(25)16(30)10-26(21,22(11)32)23(15)35-14(4)29/h15,17-21,23,31H,1,8-10H2,2-7H3/t15?,17-,18+,19-,20-,21+,23-,25-,26-/m1/s1
SMILES C=C1C(=O)[C@@]23CC(=O)[C@@H]4C(C)(C)[C@@H](O)C[C@@H](OC(C)=O)[C@@]4(C)[C@@H]2[C@H](OC(C)=O)C[C@@H]1C3OC(C)=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeIsodon adenantha Ref.
PlantaeLabiataeIsodon calcicola Ref.
PlantaeLamiaceaeRabdosia adenantha Ref.
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