input word = C00038702

Metabolite InformationStructural formula
Name Cardenolide N-1
(-)-Cardenolide N-1
Formula C30H46O7
Mw 518.32435382
CAS RN 946833-89-2
C_ID C00038702 ,
InChIKey YBZZSZQZDODUAA-WDMIWANRNA-N
InChICode InChI=1S/C30H46O7/c1-17-27(32)24(34-4)15-26(36-17)37-20-7-10-28(2)19(14-20)5-6-23-22(28)8-11-29(3)21(9-12-30(23,29)33)18-13-25(31)35-16-18/h13,17,19-24,26-27,32-33H,5-12,14-16H2,1-4H3/t17-,19-,20+,21-,22+,23-,24+,26+,27+,28+,29-,30+/m1/s1
SMILES C1[C@@H](C[C@@H]2[C@](C1)([C@@H]1[C@@H](CC2)[C@@]2([C@](CC1)([C@H](CC2)C1=CC(=O)OC1)C)O)C)O[C@@H]1O[C@@H]([C@@H]([C@H](C1)OC)O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeNerium oleander Ref.
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OrganismNerium oleander
ReferenceZhao,J.Nat.Prod.,70,(2007),1098