input word = C00040752

Metabolite InformationStructural formula
Name (20S,22R)-5beta,6beta-Epoxy-4beta,14beta,15alpha-trihydroxy-1-oxowith-2,24-dienolide
(+)-(20S,22R)-5beta,6beta-Epoxy-4beta,14beta,15alpha-trihydroxy-1-oxowith-2,24-dienolide
Formula C28H38O7
Mw 486.26175357
CAS RN 222609-98-5
C_ID C00040752 ,
InChIKey TUSMTCBTWSKFRH-IPWHQXEWNA-N
InChICode InChI=1S/C28H38O7/c1-13-10-19(34-24(32)14(13)2)15(3)17-11-22(31)27(33)18-12-23-28(35-23)21(30)7-6-20(29)26(28,5)16(18)8-9-25(17,27)4/h6-7,15-19,21-23,30-31,33H,8-12H2,1-5H3/t15-,16-,17+,18+,19+,21-,22-,23+,25+,26-,27+,28+/m0/s1
SMILES CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@H]2C[C@H](O)[C@]3(O)[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@H]4CC[C@]23C)C1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSolanaceaePhysalis peruviana Ref.
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OrganismPhysalis peruviana
ReferenceAlmand,Phytochem.,50,(1999),647