input word = C00046247

Metabolite InformationStructural formula
Name Orbiculin D
(+)-Orbiculin D
Formula C27H32O9
Mw 500.20463262
CAS RN 227450-68-2
C_ID C00046247 ,
InChIKey PYVZLPAEJQAONU-HMIIOWRFNA-N
InChICode InChI=1S/C27H32O9/c1-15-6-7-20(33-16(2)28)26(5)21(34-23(29)17-8-10-31-13-17)12-19-22(27(15,26)36-25(19,3)4)35-24(30)18-9-11-32-14-18/h8-11,13-15,19-22H,6-7,12H2,1-5H3/t15-,19-,20+,21+,22-,26+,27-/m1/s1
SMILES CC(=O)O[C@H]1CC[C@@H](C)[C@]23OC(C)(C)[C@H](C[C@H](OC(=O)c4ccoc4)[C@]12C)C3OC(=O)c1ccoc1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCelastraceaeCelastrus orbiculatus Ref.
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OrganismCelastrus orbiculatus
ReferenceJin,J.Nat.Prod.,65,(2002),89