input word = C00033955

Metabolite InformationStructural formula
Name Isoeichlerianic acid
(+)-Isoeichlerianic acid
Formula C30H50O4
Mw 474.37091008
CAS RN 1042349-72-3
C_ID C00033955 ,
InChIKey ZKBGKWZSOPPDSD-BNWMGCLSNA-N
InChICode InChI=1S/C30H50O4/c1-19(2)20-11-17-29(7)23(27(20,5)15-14-25(31)32)10-9-21-22(12-16-28(21,29)6)30(8)18-13-24(34-30)26(3,4)33/h20-24,33H,1,9-18H2,2-8H3,(H,31,32)/t20-,21+,22-,23+,24-,27+,28+,29?,30+/m0/s1
SMILES [C@]12([C@H](CC[C@H]3[C@]1(CC[C@H]([C@@]3(C)CCC(=O)O)C(=C)C)C)[C@H](CC2)[C@@]1(O[C@@H](CC1)C(O)(C)C)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMeliaceaeAglaia silvestris Ref.
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OrganismAglaia silvestris
ReferencePointinger,Phytochem.,69,(2008),2696