input word = C00003600

Metabolite InformationStructural formula
Name Adynerin
Formula C30H44O7
Mw 516.30870376
CAS RN 35109-93-4
C_ID C00003600 ,
InChIKey BYZQVAOKDQTHHP-LBSVSGRKNA-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+/m0/s1
SMILES C1[C@@H](C[C@@H]2[C@](C1)([C@@H]1[C@@]3(CC2)[C@@]2([C@](CC1)([C@H](CC2)C1=CC(=O)OC1)C)O3)C)O[C@@H]1C[C@H]([C@@H]([C@@H](O1)C)O)OC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeNerium oleander Ref.
zoom in