input word = C00033481

Metabolite InformationStructural formula
Name Vibsanin I
(+)-Vibsanin I
Formula C25H36O7
Mw 448.2461035
CAS RN 331680-35-4
C_ID C00033481 ,
InChIKey UJJUMNMPDZRFHA-JSPZYVHGNA-N
InChICode InChI=1S/C25H36O7/c1-16(2)13-23(28)31-12-9-21-20(14-18(5)27)24(29)19(15-26)7-10-25(21,6)11-8-22(32-30)17(3)4/h7,9,12-13,20-22,26,30H,3,8,10-11,14-15H2,1-2,4-6H3/b12-9+/t20-,21-,22-,25+/m0/s1
SMILES C1=C(C(=O)[C@H]([C@@H]([C@](C1)(CC[C@@H](C(=C)C)OO)C)/C=C/OC(=O)C=C(C)C)CC(=O)C)CO
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAdoxaceaeViburnum odoratissimum Ref.
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