CHEBI:223024 - (1S,2R,4aR,12aR)-3-acetyl-1,2,6,7-tetrahydroxy-4a-(((5S,6S)-5-hydroxy-6-methyltetrahydro-2H-pyran-2-yl)methyl)-2,4a,12,12a-tetrahydrotetracen-5(1H)-one

ChEBI IDCHEBI:223024
ChEBI Name(1S,2R,4aR,12aR)-3-acetyl-1,2,6,7-tetrahydroxy-4a-(((5S,6S)-5-hydroxy-6-methyltetrahydro-2H-pyran-2-yl)methyl)-2,4a,12,12a-tetrahydrotetracen-5(1H)-one
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H30O8
Net Charge0
Average Mass482.529
Monoisotopic Mass482.19407
SMILESCC(=O)C1=C[C@@]2(CC3CC[C@H](O)[C@H](C)O3)C(=O)c3c(cc4cccc(O)c4c3O)C[C@H]2[C@H](O)[C@@H]1O
InChIInChI=1S/C27H30O8/c1-12(28)17-11-27(10-16-6-7-19(29)13(2)35-16)18(24(32)23(17)31)9-15-8-14-4-3-5-20(30)21(14)25(33)22(15)26(27)34/h3-5,8,11,13,16,18-19,23-24,29-33H,6-7,9-10H2,1-2H3/t13-,16?,18-,19-,23+,24-,27+/m0/s1
InChIKeyQYIMDGSGJYXROJ-ZMHNGORWSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (31553109)
ChEBI Ontology
Outgoing Relation(s)
(1S,2R,4aR,12aR)-3-acetyl-1,2,6,7-tetrahydroxy-4a-(((5S,6S)-5-hydroxy-6-methyltetrahydro-2H-pyran-2-yl)methyl)-2,4a,12,12a-tetrahydrotetracen-5(1H)-one (CHEBI:223024) is a terpene glycoside (CHEBI:61777)