input word = C00048211

Metabolite InformationStructural formula
Name Toosendanic acid B
Formula C30H48O4
Mw 472.35526002
CAS RN 1050570-26-7
C_ID C00048211 ,
InChIKey IOPZFWUTZDYRHQ-BHARKACMNA-N
InChICode InChI=1S/C30H48O4/c1-18(2)9-8-10-19(26(33)34)25-22(31)17-30(7)21-11-12-23-27(3,4)24(32)14-15-28(23,5)20(21)13-16-29(25,30)6/h9,11,19-20,22-25,31-32H,8,10,12-17H2,1-7H3,(H,33,34)/t19-,20-,22-,23-,24+,25+,28+,29-,30+/m0/s1
SMILES [C@@]12([C@](C3=CC[C@@H]4[C@@]([C@H]3CC1)(CC[C@H](C4(C)C)O)C)(C)C[C@@H]([C@H]2[C@H](CCC=C(C)C)C(=O)O)O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMeliaceaeMelia toosendan Ref.
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OrganismMelia toosendan
ReferenceSang,J.Nat.Prod.,72,(2009),917