input word = C00049181

Metabolite InformationStructural formula
Name Ipanguline B2
Formula C22H29NO8
Mw 435.18931691
CAS RN 210779-99-0
C_ID C00049181 ,
InChIKey GCEGBPGJRGEBFU-UHFFFAOYNA-N
InChICode InChI=1S/C22H29NO8/c1-13(30-14(2)24)22(3,28)21(27)29-12-15-8-10-23-11-9-18(19(15)23)31-20(26)16-6-4-5-7-17(16)25/h4-7,13,15,18-19,25,28H,8-12H2,1-3H3/t13-,15+,18+,19-,22+/m1/s1
SMILES N12[C@@H]([C@H](CC1)OC(=O)c1ccccc1O)[C@@H](CC2)COC(=O)[C@]([C@H](OC(=O)C)C)(O)C
Start Substs in Alk. Biosynthesis (Prediction) L-Arg L-Asp
Organism
Kingdom Family Species Reference
PlantaeConvolvulaceaeIpomoea hederifolia Ref.
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