input word = C00040576

Metabolite InformationStructural formula
Name Tubocapsenolide A
(-)-Tubocapsenolide A
Formula C28H36O6
Mw 468.25118888
CAS RN 937803-32-2
C_ID C00040576 ,
InChIKey ZZCMFFGGLCGPHY-GOVOFLIBNA-N
InChICode InChI=1S/C28H36O6/c1-13-10-20(33-25(32)14(13)2)15(3)26(4)18-6-7-19-17(16(18)11-23(26)31)12-24-28(34-24)22(30)9-8-21(29)27(19,28)5/h8-9,15,17,19-20,22-24,30-31H,6-7,10-12H2,1-5H3/t15-,17+,19+,20-,22+,23-,24-,26+,27+,28-/m1/s1
SMILES CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@@]2(C)C3=C(C[C@H]2O)[C@@H]2C[C@H]4O[C@]45[C@@H](O)C=CC(=O)[C@]5(C)[C@H]2CC3)C1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSolanaceaeTubocapsicum anomalum Ref.
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