input word = C00040167

Metabolite InformationStructural formula
Name Rohituka-12
(-)-Rohituka-12
Formula C31H38O10
Mw 570.24649744
CAS RN 246854-40-0
C_ID C00040167 ,
InChIKey KCTLGKKVILRARU-LUFUSIGVNA-N
InChICode InChI=1S/C31H38O10/c1-15(2)9-23(34)39-27-26(36)25-16(3)31(20(32)10-18(30(27,31)6)17-7-8-37-13-17)40-21-12-24(35)41-28(4)14-38-22(33)11-19(28)29(21,25)5/h7-8,13,15,18-19,21,25-27,36H,3,9-12,14H2,1-2,4-6H3/t18-,19-,21-,25+,26+,27-,28+,29+,30+,31+/m0/s1
SMILES [C@H]1([C@@]2([C@]3(O[C@@H]4[C@]([C@@H]([C@H]1O)C3=C)([C@@H]1[C@](OC(=O)C4)(COC(=O)C1)C)C)C(=O)C[C@H]2c1ccoc1)C)OC(=O)CC(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMeliaceaeAphanamixis polystacha Ref.
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OrganismAphanamixis polystacha
Reference,MulhollandPhytochem.,51,(1999),927