input word = C00035159

Metabolite InformationStructural formula
Name Schimperinone
(-)-Schimperinone
Formula C30H48O3
Mw 456.3603454
CAS RN 75018-57-4
C_ID C00035159 ,
InChIKey YJVMDLQSCPBESM-KMXCCURQNA-N
InChICode InChI=1S/C30H48O3/c1-25(2)14-15-30(18-31)20(16-25)19-8-9-22-27(5)12-11-23(32)26(3,4)21(27)10-13-28(22,6)29(19,7)17-24(30)33/h8,20-23,31-32H,9-18H2,1-7H3/t20-,21-,22+,23-,27-,28+,29+,30+/m0/s1
SMILES C1[C@@H](C([C@H]2[C@](C1)([C@@H]1[C@@](CC2)([C@]2(C(=CC1)[C@H]1[C@@](C(=O)C2)(CCC(C1)(C)C)CO)C)C)C)(C)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMyrsinaceaeEmbelia schimperi Ref.
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