(1S,2R,4aR,12aR)-3-acetyl-1,2,6,7-tetrahydroxy-4a-(((5R,6S)-5-hydroxy-5-(1-hydroxyethyl)-6-methyltetrahydro-2H-pyran-2-yl)methyl)-2,4a,12,12a-tetrahydrotetracen-5(1H)-one (CHEBI:223018)

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CHEBI:223018 - (1S,2R,4aR,12aR)-3-acetyl-1,2,6,7-tetrahydroxy-4a-(((5R,6S)-5-hydroxy-5-(1-hydroxyethyl)-6-methyltetrahydro-2H-pyran-2-yl)methyl)-2,4a,12,12a-tetrahydrotetracen-5(1H)-one

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ChEBI ID	CHEBI:223018
ChEBI Name	(1S,2R,4aR,12aR)-3-acetyl-1,2,6,7-tetrahydroxy-4a-(((5R,6S)-5-hydroxy-5-(1-hydroxyethyl)-6-methyltetrahydro-2H-pyran-2-yl)methyl)-2,4a,12,12a-tetrahydrotetracen-5(1H)-one
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C29H34O9
Net Charge	0
Average Mass	526.582
Monoisotopic Mass	526.22028
SMILES	CC(=O)C1=C[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/C29H34O9/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/h4-6,9,12,14-15,18,20,24-25,31-35,37H,7-8,10-11H2,1-3H3/t14?,15-,18?,20-,24+,25-,28+,29+/m0/s1
InChIKey	GUGBNNCJLCMFOG-QSIIAYLOSA-N

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

ChEBI Ontology

Outgoing Relation(s)
	(1S,2R,4aR,12aR)-3-acetyl-1,2,6,7-tetrahydroxy-4a-(((5R,6S)-5-hydroxy-5-(1-hydroxyethyl)-6-methyltetrahydro-2H-pyran-2-yl)methyl)-2,4a,12,12a-tetrahydrotetracen-5(1H)-one (CHEBI:223018) is a terpene glycoside (CHEBI:61777)