input word = C00050369

Metabolite InformationStructural formula
Name Ircinianin
(-)-Ircinianin
Formula C25H32O4
Mw 396.23005951
CAS RN 63555-48-6
C_ID C00050369 ,
InChIKey ONJNDTZVKWTRJZ-CPBPLKMRNA-N
InChICode InChI=1S/C25H32O4/c1-15(6-5-7-19-10-11-28-14-19)12-20-13-17(3)21-9-8-16(2)22(21)25(20)23(26)18(4)24(27)29-25/h10-14,16,20-22,26H,5-9H2,1-4H3/b15-12+/t16-,20+,21-,22+,25+/m0/s1
SMILES C1=C([C@H]2[C@H]([C@@]3([C@@H]1/C=C(/CCCc1ccoc1)\C)OC(=O)C(=C3O)C)[C@H](CC2)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
AnimaliaIrciniidaeIrcinia wistarii Ref.
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OrganismIrcinia wistarii
ReferenceColl,J.Nat.Prod.,60,(1997),1178