input word = C00024598

Metabolite InformationStructural formula
Name Singapurensine B
(-)-Singapurensine B
Formula C24H28N2O7
Mw 456.18965126
CAS RN 158182-16-2
C_ID C00024598 ,
InChIKey BRXMYFHIYLHURN-GVZKWECKNA-N
InChICode InChI=1S/C24H28N2O7/c1-30-15-12-16-25-11-10-22-13-6-4-5-7-14(13)26(20(28)32-3)23(22)9-8-21(15,17(22)25)18(33-16)24(23,29)19(27)31-2/h4-7,15-18,29H,8-12H2,1-3H3/t15-,16-,17-,18+,21+,22+,23-,24+/m0/s1
SMILES c1ccc2c(c1)[C@@]13[C@@]4(N2C(=O)OC)CC[C@@]25[C@@H]1N([C@@H](O[C@H]2[C@]4(C(=O)OC)O)C[C@@H]5OC)CC3
Start Substs in Alk. Biosynthesis (Prediction) L-Trp Secologanin
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeKopsia singapurensis Ref.
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