input word = C00006430

Metabolite InformationStructural formula
Name Ormocarpin
Formula C42H42O20
Mw 866.22694379
CAS RN 129502-54-1
C_ID C00006430 ,
InChIKey RVPPNKOUWPOQRX-KLTCUZNZNA-N
InChICode InChI=1S/C42H42O20/c43-13-25-31(49)35(53)37(55)41(61-25)57-19-9-21(47)27-23(11-19)59-39(15-1-5-17(45)6-2-15)29(33(27)51)30-34(52)28-22(48)10-20(58-42-38(56)36(54)32(50)26(14-44)62-42)12-24(28)60-40(30)16-3-7-18(46)8-4-16/h1-12,25-26,29-32,35-50,53-56H,13-14H2/t25-,26+,29-,30-,31-,32-,35+,36+,37-,38+,39+,40+,41+,42+/m0/s1
SMILES O=C1c2c(O)cc(O[C@@H]3OC(CO)[C@@H](O)C(O)C3O)cc2O[C@H](c2ccc(O)cc2)[C@H]1[C@H]1C(=O)c2c(O)cc(O[C@@H]3O[C@@H](CO)[C@@H](O)C(O)C3O)cc2O[C@@H]1c1ccc(O)cc1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeOrmocarpum kirkii Ref.
PlantaeGesneriaceaeAeschynanthus bracteatus Ref.
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OrganismAeschynanthus bracteatus
ReferenceLi,Phytochem.,69,(2008),2200