(1S,2R,3R,4aS,12aR)-3-acetyl-1,2,6,7-tetrahydroxy-4a-(((5R,6S)-5-hydroxy-5-(1-hydroxyethyl)-6-methyltetrahydro-2H-pyran-2-yl)methyl)-2,3,4,4a,12,12a-hexahydrotetracen-5(1H)-one (CHEBI:223004)

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CHEBI:223004 - (1S,2R,3R,4aS,12aR)-3-acetyl-1,2,6,7-tetrahydroxy-4a-(((5R,6S)-5-hydroxy-5-(1-hydroxyethyl)-6-methyltetrahydro-2H-pyran-2-yl)methyl)-2,3,4,4a,12,12a-hexahydrotetracen-5(1H)-one

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ChEBI ID	CHEBI:223004
ChEBI Name	(1S,2R,3R,4aS,12aR)-3-acetyl-1,2,6,7-tetrahydroxy-4a-(((5R,6S)-5-hydroxy-5-(1-hydroxyethyl)-6-methyltetrahydro-2H-pyran-2-yl)methyl)-2,3,4,4a,12,12a-hexahydrotetracen-5(1H)-one
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C29H36O9
Net Charge	0
Average Mass	528.598
Monoisotopic Mass	528.23593
SMILES	CC(=O)[C@@H]1C[C@@]2(CC3CC[C@@](O)(C(C)O)[C@H](C)O3)C(=O)c3c(cc4cccc(O)c4c3O)C[C@H]2[C@H](O)[C@@H]1O
InChI	InChI=1S/C29H36O9/c1-13(30)19-12-28(11-18-7-8-29(37,14(2)31)15(3)38-18)20(25(34)24(19)33)10-17-9-16-5-4-6-21(32)22(16)26(35)23(17)27(28)36/h4-6,9,14-15,18-20,24-25,31-35,37H,7-8,10-12H2,1-3H3/t14?,15-,18?,19-,20-,24+,25-,28+,29+/m0/s1
InChIKey	XWIIHPFMDWALAP-CIKCRHJDSA-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-(((5R,6S)-5-hydroxy-5-(1-hydroxyethyl)-6-methyltetrahydro-2H-pyran-2-yl)methyl)-2,3,4,4a,12,12a-hexahydrotetracen-5(1H)-one (CHEBI:223004) is a terpene glycoside (CHEBI:61777)