17-Formyl-17-demethoxy18-O,21-O-dihydrogeldanamycin (CHEBI:200257)

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CHEBI:200257 - 17-Formyl-17-demethoxy18-O,21-O-dihydrogeldanamycin

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ChEBI ID	CHEBI:200257
ChEBI Name	17-Formyl-17-demethoxy18-O,21-O-dihydrogeldanamycin
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C29H40N2O9
Net Charge	0
Average Mass	560.644
Monoisotopic Mass	560.27338
SMILES	CO[C@H]1/C=C\C=C(\C)C(=O)Nc2cc(O)c(C=O)c(c2O)C[C@@H](C)C[C@H](OC)[C@H](O)[C@@H](C)/C=C(/C)[C@@H]1OC(N)=O
InChI	InChI=1S/C29H40N2O9/c1-15-10-19-20(14-32)22(33)13-21(26(19)35)31-28(36)16(2)8-7-9-23(38-5)27(40-29(30)37)18(4)12-17(3)25(34)24(11-15)39-6/h7-9,12-15,17,23-25,27,33-35H,10-11H2,1-6H3,(H2,30,37)(H,31,36)/b9-7-,16-8-,18-12-/t15-,17+,23+,24+,25-,27+/m1/s1
InChIKey	OFASSFOXVUYUFT-GCJLKVIVSA-N

Species of Metabolite	Component	Source	Comments
Streptomyces hygroscopicus (ncbitaxon:1912)	-	PubMed (15376554)

ChEBI Ontology

Outgoing Relation(s)
	17-Formyl-17-demethoxy18-O,21-O-dihydrogeldanamycin (CHEBI:200257) is a phenols (CHEBI:33853)

IUPAC Name
[(4Z,6Z,8S,9S,10Z,12S,13R,14S,16R)-19-ormyl-13,20,22-trihydroxy-8,14-dimethoxy-4,10,12,16-tetramethyl-3-oxo-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18(22),19-hexaen-9-yl] carbamate

Manual Xrefs	Databases
78442504	ChemSpider