input word = C00003604

Metabolite InformationStructural formula
Name Aspecioside
Formula C29H42O10
Mw 550.27779756
CAS RN 101915-75-7
C_ID C00003604 ,
InChIKey BEDAFJYDKDOALK-VJFLKZLVNA-N
InChICode InChI=1S/C29H42O10/c1-13-22(32)23(33)24(34)25(37-13)38-16-4-6-26(2)15(9-16)10-20-29(39-20)18(26)11-19(30)27(3)17(5-7-28(27,29)35)14-8-21(31)36-12-14/h8,13,15-20,22-25,30,32-35H,4-7,9-12H2,1-3H3/t13-,15-,16+,17-,18-,19-,20+,22-,23+,24-,25-,26+,27+,28-,29-/m1/s1
SMILES C1[C@@H](C[C@H]2[C@](C1)([C@@H]1[C@@]3([C@H](C2)O3)[C@@]2([C@]([C@@H](C1)O)([C@H](CC2)C1=CC(=O)OC1)C)O)C)O[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)C)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeAsclepias speciosa Ref.
PlantaeApocynaceaeAsclepias syriaca Ref.
zoom in