input word = C00033472

Metabolite InformationStructural formula
Name Versicolactone D
Formula C30H42O3
Mw 450.31339521
CAS RN 126770-37-4
C_ID C00033472 ,
InChIKey RHFOIVCXBQDVCO-ZUITVLSZNA-N
InChICode InChI=1S/C30H42O3/c1-19(2)24-15-14-21(4)12-8-16-30-26(25(24)32-28(30)31)29-17-22(5)11-6-9-20(3)10-7-13-23(18-29)27(30)33-29/h10-12,18-19,24-27H,6-9,13-17H2,1-5H3/b20-10+,21-12-,22-11+/t24-,25-,26+,27+,29-,30+/m1/s1
SMILES C1/C(=C/CCC2=C[C@]3(C/C(=C/C1)/C)[C@H]1[C@@]4([C@H]2O3)C(=O)O[C@@H]1[C@H](CC/C(=C\CC4)/C)C(C)C)/C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAristolochiaceaeAristolochia heterophylla Hemsl Ref.
PlantaeAristolochiaceaeAristolochia versicolar Ref.
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OrganismAristolochia versicolar
ReferenceXue, et al., APS, 24, (1989), 917