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CHEBI:219581 - Khafrefungin

ChEBI IDCHEBI:219581
ChEBI NameKhafrefungin
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SubmitterMetaboLights
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FormulaC33H56O9
Net Charge0
Average Mass596.802
Monoisotopic Mass596.39243
SMILESCCCCCCCCCCC(C)C(O)C(C)/C=C(C)/C=C(\C)C(=O)C(C)/C=C(\C)C(=O)OC(CO)C(O)C(O)C(=O)O
InChIInChI=1S/C33H56O9/c1-8-9-10-11-12-13-14-15-16-22(3)28(35)23(4)17-21(2)18-24(5)29(36)25(6)19-26(7)33(41)42-27(20-34)30(37)31(38)32(39)40/h17-19,22-23,25,27-28,30-31,34-35,37-38H,8-16,20H2,1-7H3,(H,39,40)/b21-17+,24-18+,26-19+
InChIKeyMCNCNVGBSVXONP-ZVIGYSBASA-N
ChEBI Ontology
Outgoing Relation(s)
Khafrefungin (CHEBI:219581) is a diterpenoid (CHEBI:23849)
IUPAC Name 
2,3,5-trihydroxy-4-[(2E,6E,8E)-11-hydroxy-2,4,6,8,10,12-hexamethyl-5-oxodocosa-2,6,8-trienoyl]oxypentanoic acid
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