input word = C00040573

Metabolite InformationStructural formula
Name Tubocapsanolide A
(+)-Tubocapsanolide A
Formula C28H36O6
Mw 468.25118888
CAS RN 937803-35-5
C_ID C00040573 ,
InChIKey RQGXOMVMGPVOQK-AQONXLGWNA-N
InChICode InChI=1S/C28H36O6/c1-13-10-19(32-24(31)14(13)2)15(3)27-23(33-27)12-18-16-11-22-28(34-22)21(30)7-6-20(29)26(28,5)17(16)8-9-25(18,27)4/h6-7,15-19,21-23,30H,8-12H2,1-5H3/t15-,16-,17+,18+,19-,21+,22-,23-,25+,26+,27-,28-/m1/s1
SMILES C1=C[C@@H]([C@]23[C@](C1=O)([C@@H]1[C@@H](C[C@H]2O3)[C@H]2[C@](CC1)([C@]1([C@@H](C2)O1)[C@@H]([C@H]1CC(=C(C(=O)O1)C)C)C)C)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSolanaceaeTubocapsicum anomalum Ref.
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OrganismTubocapsicum anomalum
ReferenceHeieh,J.Nat.Prod.,70,(2007),747