(1S,2R,3R,4aS,12aR)-3-acetyl-1,2,6,7-tetrahydroxy-4a-(((5S,6S)-5-hydroxy-5-(2-hydroxyacetyl)-6-methyltetrahydro-2H-pyran-2-yl)methyl)-2,3,4,4a,12,12a-hexahydrotetracen-5(1H)-one (CHEBI:223000)

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CHEBI:223000 - (1S,2R,3R,4aS,12aR)-3-acetyl-1,2,6,7-tetrahydroxy-4a-(((5S,6S)-5-hydroxy-5-(2-hydroxyacetyl)-6-methyltetrahydro-2H-pyran-2-yl)methyl)-2,3,4,4a,12,12a-hexahydrotetracen-5(1H)-one

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ChEBI ID	CHEBI:223000
ChEBI Name	(1S,2R,3R,4aS,12aR)-3-acetyl-1,2,6,7-tetrahydroxy-4a-(((5S,6S)-5-hydroxy-5-(2-hydroxyacetyl)-6-methyltetrahydro-2H-pyran-2-yl)methyl)-2,3,4,4a,12,12a-hexahydrotetracen-5(1H)-one
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C29H34O10
Net Charge	0
Average Mass	542.581
Monoisotopic Mass	542.21520
SMILES	CC(=O)[C@@H]1C[C@@]2(CC3CC[C@@](O)(C(=O)CO)[C@H](C)O3)C(=O)c3c(cc4cccc(O)c4c3O)C[C@H]2[C@H](O)[C@@H]1O
InChI	InChI=1S/C29H34O10/c1-13(31)18-11-28(10-17-6-7-29(38,14(2)39-17)21(33)12-30)19(25(35)24(18)34)9-16-8-15-4-3-5-20(32)22(15)26(36)23(16)27(28)37/h3-5,8,14,17-19,24-25,30,32,34-36,38H,6-7,9-12H2,1-2H3/t14-,17?,18-,19-,24+,25-,28+,29-/m0/s1
InChIKey	JAUACVIXDFWVCW-VLNGNYSASA-N

Species of Metabolite	Component	Source	Comments
Streptomyces (ncbitaxon:1883)	-	PubMed (31553109)

ChEBI Ontology

Outgoing Relation(s)
	(1S,2R,3R,4aS,12aR)-3-acetyl-1,2,6,7-tetrahydroxy-4a-(((5S,6S)-5-hydroxy-5-(2-hydroxyacetyl)-6-methyltetrahydro-2H-pyran-2-yl)methyl)-2,3,4,4a,12,12a-hexahydrotetracen-5(1H)-one (CHEBI:223000) is a terpene glycoside (CHEBI:61777)