input word = C00038703

Metabolite InformationStructural formula
Name Cardenolide N-2
(+)-Cardenolide N-2
Formula C30H44O7
Mw 516.30870376
CAS RN 946833-90-5
C_ID C00038703 ,
InChIKey BYZQVAOKDQTHHP-LAAUSHGKNA-N
InChICode InChI=1S/C30H44O7/c1-17-26(32)22(33-4)15-25(35-17)36-20-6-9-27(2)19(14-20)5-11-29-23(27)8-10-28(3)21(7-12-30(28,29)37-29)18-13-24(31)34-16-18/h13,17,19-23,25-26,32H,5-12,14-16H2,1-4H3/t17-,19-,20+,21-,22+,23-,25+,26+,27+,28-,29+,30-/m1/s1
SMILES CO[C@H]1C[C@H](O[C@H]2CC[C@@]3(C)[C@H](CC[C@@]45O[C@@]46CC[C@H](C4=CC(=O)OC4)[C@@]6(C)CC[C@H]35)C2)O[C@H](C)[C@@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeNerium oleander Ref.
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