input word = C00032597

Metabolite InformationStructural formula
Name 12-O-Nicotinoyllineolon
Formula C27H35NO6
Mw 469.24643786
CAS RN 34307-66-9
C_ID C00032597 ,
InChIKey OQFVSKGDZKMZEH-DJXOCTDQNA-N
InChICode InChI=1S/C27H35NO6/c1-16(29)20-8-11-27(33)25(20,3)22(34-23(31)17-5-4-12-28-15-17)14-21-24(2)9-7-19(30)13-18(24)6-10-26(21,27)32/h4-6,12,15,19-22,30,32-33H,7-11,13-14H2,1-3H3/t19-,20-,21+,22+,24-,25-,26-,27+/m0/s1
SMILES CC(=O)[C@@H]1CC[C@@]2(O)[C@]1(C)[C@H](OC(=O)c1cccnc1)C[C@@H]1[C@@]3(C)CC[C@H](O)CC3=CC[C@]12O
Start Substs in Alk. Biosynthesis (Prediction) L-Asp L-His
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeAsclepias incarnata L. Ref.
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OrganismAsclepias incarnata L.
ReferenceWarashina,Chem.Pharm.Bull.,48,(2000),516