input word = C00001968

Metabolite InformationStructural formula
Name Celapanine
Formula C30H35NO10
Mw 569.22609635
CAS RN 52658-32-9
C_ID C00001968 ,
InChIKey MHXMEJIEIHJTGN-UHFFFAOYNA-N
InChICode InChI=1S/C30H35NO10/c1-16-9-10-21(37-17(2)32)29(6)25(40-26(34)19-8-7-12-31-14-19)23(38-18(3)33)22-24(30(16,29)41-28(22,4)5)39-27(35)20-11-13-36-15-20/h7-8,11-16,21-25H,9-10H2,1-6H3/t16-,21-,22+,23-,24-,25+,29-,30+/m1/s1
SMILES [C@H]1(CC[C@H]([C@]2([C@@]31OC([C@@H]([C@H]([C@@H]2OC(=O)c1cccnc1)OC(=O)C)[C@H]3OC(=O)c1cocc1)(C)C)C)OC(=O)C)C
Start Substs in Alk. Biosynthesis (Prediction) L-Asp L-His
Organism
Kingdom Family Species Reference
PlantaeCelastraceaeCelastrus paniculata Ref.
PlantaeCelastraceaeCelastrus paniculatus Ref.
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