input word = C00064175

Metabolite InformationStructural formula
Name Neridiginoside
Formula C30H46O8
Mw 534.31926845
CAS RN 221380-14-9
C_ID C00064175
InChIKey XRWQBDJPMXRDOQ-IGLPKLRXSA-N
InChICode InChI=1S/C30H46O8/c1-17-26(32)23(35-4)14-25(37-17)38-19-5-9-27(2)21-6-10-28(3)20(18-13-24(31)36-16-18)8-12-30(28,34)22(21)7-11-29(27,33)15-19/h13,17,19-23,25-26,32-34H,5-12,14-16H2,1-4H3/t17-,19+,20-,21+,22-,23-,25+,26+,27-,28-,29+,30+/m1/s1
SMILES COC1CC(OC2CCC3(C)C4CCC5(C)C(C6=CC(=O)OC6)CCC5(O)C4CCC3(O)C2)OC(C)C1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeNerium oleander Ref.
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