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CHEBI:183128 - Anthenoside A

ChEBI IDCHEBI:183128
ChEBI NameAnthenoside A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC38H65NO9
Net Charge0
Average Mass679.936
Monoisotopic Mass679.46593
SMILES[H][C@]1([C@H](C)CC[C@@H](CC)C(C)C)[C@H](O[C@@H]2OC(CO)[C@H](OC)C(O)[C@@H]2NC(C)=O)CC2=C3[C@@H](O)[C@@H](O)[C@@]4([H])C[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@@]21C
InChIInChI=1S/C38H65NO9/c1-9-22(19(2)3)11-10-20(4)30-27(47-36-31(39-21(5)41)34(45)35(46-8)28(18-40)48-36)17-25-29-24(13-15-38(25,30)7)37(6)14-12-23(42)16-26(37)32(43)33(29)44/h19-20,22-24,26-28,30-36,40,42-45H,9-18H2,1-8H3,(H,39,41)/t20-,22-,23+,24+,26-,27-,28?,30+,31+,32+,33-,34?,35+,36-,37-,38+/m1/s1
InChIKeyRNKLRQYEPYNQHD-NSMQWETHSA-N
Species of MetaboliteComponentSourceComments
Trypanosoma brucei (ncbitaxon:5691) cell culture (BTO:0000214) MetaboLights (MTBLS2559)
ChEBI Ontology
Outgoing Relation(s)
Anthenoside A (CHEBI:183128) has parent hydride stigmastane (CHEBI:26773)
Anthenoside A (CHEBI:183128) is a steroid (CHEBI:35341)
IUPAC Name 
N-[(2R,3S,5R)-2-[[(3S,5S,6S,7R,9R,10R,13R,16R,17R)-17-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-3,6,7-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-16-yl]oxy]-4-hydroxy-6-(hydroxymethyl)-5-methoxyoxan-3-yl]acetamide
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