input word = C00054713

Metabolite InformationStructural formula
Name Alloside A
Formula C33H56O9
Mw 596.39243339
CAS RN 142735-53-3
C_ID C00054713
InChIKey QDJYUSAVAQTFPO-DPJOFCGHSA-N
InChICode InChI=1S/C33H56O9/c1-16(2)6-9-23(36)17(3)27-24(41-31-30(40)29(39)28(38)25(15-34)42-31)14-22-20-8-7-18-12-19(35)13-26(37)33(18,5)21(20)10-11-32(22,27)4/h7,16-17,19-31,34-40H,6,8-15H2,1-5H3/t17-,19-,20-,21+,22+,23+,24+,25-,26-,27+,28+,29+,30-,31-,32+,33+/m1/s1
SMILES CC(C)CC[C@H](O)[C@@H](C)[C@H]1[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)C[C@H]2[C@@H]3CC=C4C[C@@H](O)C[C@@H](O)[C@]4(C)[C@H]3CC[C@]12C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAlliaceaeAllium stipitatum Ref.
PlantaeAlliaceaeAllium suvorovii Ref.
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