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CHEBI:204976 - Caloporoside

ChEBI IDCHEBI:204976
ChEBI NameCaloporoside
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FormulaC36H60O15
Net Charge0
Average Mass732.861
Monoisotopic Mass732.39322
SMILESC[C@H](CCCCCCCCCCCCCCCc1cccc(O)c1C(=O)O)OC(=O)[C@@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1OC(CO)[C@@H](O)C(O)C1O
InChIInChI=1S/C36H60O15/c1-22(49-35(48)32(44)30(42)28(40)25(20-37)50-36-33(45)31(43)29(41)26(21-38)51-36)16-13-11-9-7-5-3-2-4-6-8-10-12-14-17-23-18-15-19-24(39)27(23)34(46)47/h15,18-19,22,25-26,28-33,36-45H,2-14,16-17,20-21H2,1H3,(H,46,47)/t22-,25-,26?,28-,29-,30+,31?,32+,33?,36-/m1/s1
InChIKeyRVPYNDKFWKATKT-VVYAZZBTSA-N
ChEBI Ontology
Outgoing Relation(s)
Caloporoside (CHEBI:204976) is a O-acyl carbohydrate (CHEBI:52782)
IUPAC Name 
2-hydroxy-6-[(16R)-16-[(2S,3S,4S,5R)-2,3,4,6-tetrahydroxy-5-[(2S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexanoyl]oxyheptadecyl]benzoic acid
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