input word = C00039558

Metabolite InformationStructural formula
Name Kihadalactone A
Formula C30H40O7
Mw 512.27740363
CAS RN 14254599-1
C_ID C00039558 ,
InChIKey ONWYJKOVGIGNQN-OXLNWCMLNA-N
InChICode InChI=1S/C30H40O7/c1-17(31)35-24-14-23-27(3,4)37-26(33)15-25(36-18(2)32)30(23,7)22-10-12-28(5)20(19-11-13-34-16-19)8-9-21(28)29(22,24)6/h9,11,13,16,20,22-25H,8,10,12,14-15H2,1-7H3/t20-,22-,23-,24+,25-,28-,29-,30+/m0/s1
SMILES CC(=O)O[C@H]1CC(=O)OC(C)(C)[C@@H]2C[C@@H](OC(C)=O)[C@@]3(C)C4=CC[C@@H](c5ccoc5)[C@]4(C)CC[C@@H]3[C@@]12C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMeliaceaeAphanamixis polystacha Ref.
PlantaeRutaceaePhellodendron amurense Ref.
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OrganismPhellodendron amurense
ReferenceK. Kishi et al., Chem. Abs., (1992), 117, 66591.