input word = C00046620

Metabolite InformationStructural formula
Name Aphelasteroside C
Formula C33H54O14S2
Mw 738.29549789
CAS RN 290826-04-9
C_ID C00046620 ,
InChIKey LQKSLCNTRSRVGF-QAJNQKCWNA-N
InChICode InChI=1S/C33H54O14S2/c1-16(2)27(35)25(34)13-17(3)21-7-8-22-20-15-26(45-31-29(37)28(36)30(18(4)44-31)47-49(41,42)43)24-14-19(46-48(38,39)40)9-11-33(24,6)23(20)10-12-32(21,22)5/h10,16-22,24,26-31,35-37H,7-9,11-15H2,1-6H3,(H,38,39,40)(H,41,42,43)/t17-,18-,19+,20+,21-,22+,24-,26+,27+,28-,29-,30-,31+,32-,33-/m1/s1
SMILES C1[C@@H](C[C@H]2[C@](C1)(C1=CC[C@]3([C@H]([C@@H]1C[C@@H]2O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)OS(=O)(=O)O)C)CC[C@@H]3[C@@H](CC(=O)[C@H](C(C)C)O)C)C)C)OS(=O)(=O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
AnimaliaAsteriidaeAphelasterias japonica Ref.
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OrganismAphelasterias japonica
ReferenceIvanchina,J.Nat.Prod.,63,(2000),1178