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CHEBI:226406 - Ganefromycin epsilon

ChEBI IDCHEBI:226406
ChEBI NameGanefromycin epsilon
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SubmitterMetaboLights
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FormulaC36H53NO9
Net Charge0
Average Mass643.818
Monoisotopic Mass643.37203
SMILESC/C=C\C=C\C1OC(O)([C@H](C)C(=O)NC/C=C/C=C(\C)C(OC)C(C)C2CC(O)C(/C=C/C=C/C=C\C(=O)O)O2)CC(O)C1(C)C
InChIInChI=1S/C36H53NO9/c1-8-9-12-19-31-35(5,6)30(39)23-36(43,46-31)26(4)34(42)37-21-16-15-17-24(2)33(44-7)25(3)29-22-27(38)28(45-29)18-13-10-11-14-20-32(40)41/h8-20,25-31,33,38-39,43H,21-23H2,1-7H3,(H,37,42)(H,40,41)/b9-8-,11-10+,16-15+,18-13+,19-12+,20-14-,24-17+/t25?,26-,27?,28?,29?,30?,31?,33?,36?/m1/s1
InChIKeyRNCHOJALTYLGCU-JWUJFNNNSA-N
ChEBI Ontology
Outgoing Relation(s)
Ganefromycin epsilon (CHEBI:226406) is a C-glycosyl compound (CHEBI:20857)
IUPAC Name 
(2Z,4E,6E)-7-[5-[(4E,6E)-8-[[(2S)-2-[2,4-dihydroxy-5,5-dimethyl-6-[(1E,3Z)-penta-1,3-dienyl]oxan-2-yl]propanoyl]amino]-3-methoxy-4-methylocta-4,6-dien-2-yl]-3-hydroxyoxolan-2-yl]hepta-2,4,6-trienoic acid
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