input word = C00031197

Metabolite InformationStructural formula
Name Rostratamine
Formula C27H35NO7
Mw 485.24135248
CAS RN 50299-46-2
C_ID C00031197 ,
InChIKey GQDQWQRPCUUAFD-ORIVAHKZNA-N
InChICode InChI=1S/C27H35NO7/c1-16(29)25(32)10-11-27(34)24(25,3)21(35-22(31)17-5-4-12-28-15-17)14-20-23(2)8-7-19(30)13-18(23)6-9-26(20,27)33/h4-6,12,15,19-21,30,32-34H,7-11,13-14H2,1-3H3/t19-,20+,21+,23-,24+,25+,26-,27+/m0/s1
SMILES CC(=O)[C@]1(O)CC[C@@]2(O)[C@]1(C)[C@H](OC(=O)c1cccnc1)C[C@@H]1[C@@]3(C)CC[C@H](O)CC3=CC[C@]12O
Start Substs in Alk. Biosynthesis (Prediction) L-Asp L-His
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeAraujia sericifera Ref.
PlantaeApocynaceaeCynanchum otophyllum Ref.
PlantaeApocynaceaeCynanchum wallichii Ref.
PlantaeApocynaceaeMarsdenia rostrata Ref.
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OrganismCynanchum wallichii
ReferenceChinese Materia Medica Editing Committee of the National Chinese Medicine and Pharmacology Bureau, Chinese Materia Medica (ZHONG HUA BEN CAO), Vol.1-Vol.30, Shanghai Science and technology Press, Shanghai, (1999)