input word = C00029624

Metabolite InformationStructural formula
Name Aceroketoside
Formula C30H38O12
Mw 590.23632668
CAS RN 497178-63-9
C_ID C00029624 ,
InChIKey CMJPNYIQFRFOER-RMHYKCOQNA-N
InChICode InChI=1S/C30H38O12/c31-15-30(37)16-39-29(27(30)36)38-14-23-24(33)25(34)26(35)28(42-23)41-19-4-2-1-3-18-8-12-21(32)22(13-18)40-20-10-6-17(5-9-19)7-11-20/h6-8,10-13,19,23-24,26-29,31-33,35-37H,1-5,9,14-16H2/t19-,23-,24-,26-,27+,28+,29-,30-/m1/s1
SMILES O=C1[C@@H](O)[C@H](O[C@@H]2CCCCc3ccc(O)c(c3)Oc3ccc(cc3)CC2)O[C@H](CO[C@@H]2OC[C@](O)(CO)[C@H]2O)[C@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSapindaceaeAcer nikoense Ref.
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