Rel-(5aR,6S,7S,8R,9R)-9-formyl-7-hydroxy-3,8-dimethyl-1-oxo-5a,6-(2,2-dimethyl-propano)-8,9-methano-5a,6,7,8,9-pentahydro-2,5-dioxaanthracene (CHEBI:212762)

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CHEBI:212762 - Rel-(5aR,6S,7S,8R,9R)-9-formyl-7-hydroxy-3,8-dimethyl-1-oxo-5a,6-(2,2-dimethyl-propano)-8,9-methano-5a,6,7,8,9-pentahydro-2,5-dioxaanthracene

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ChEBI ID	CHEBI:212762
ChEBI Name	Rel-(5aR,6S,7S,8R,9R)-9-formyl-7-hydroxy-3,8-dimethyl-1-oxo-5a,6-(2,2-dimethyl-propano)-8,9-methano-5a,6,7,8,9-pentahydro-2,5-dioxaanthracene
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Submitter	MetaboLights
Downloads	Molfile

Formula	C21H24O5
Net Charge	0
Average Mass	356.418
Monoisotopic Mass	356.16237
SMILES	Cc1cc2c(c(=O)o1)C=C1[C@]3(CC(C)(C)C[C@H]3[C@H](O)[C@]3(C)C[C@]13C=O)O2
InChI	InChI=1S/C21H24O5/c1-11-5-14-12(17(24)25-11)6-15-20(10-22)9-19(20,4)16(23)13-7-18(2,3)8-21(13,15)26-14/h5-6,10,13,16,23H,7-9H2,1-4H3/t13-,16-,19-,20-,21+/m0/s1
InChIKey	LLXYNKFISKUOJH-VRTSWNMPSA-N

Species of Metabolite	Component	Source	Comments
Phlebia tremellosa (ncbitaxon:98777)	-	DOI (10.1016/s0040-4039(00)76767-0)

ChEBI Ontology

Outgoing Relation(s)
	Rel-(5aR,6S,7S,8R,9R)-9-formyl-7-hydroxy-3,8-dimethyl-1-oxo-5a,6-(2,2-dimethyl-propano)-8,9-methano-5a,6,7,8,9-pentahydro-2,5-dioxaanthracene (CHEBI:212762) is a oxacycle (CHEBI:38104)

IUPAC Name
(1R,11R,13R,14S,15S)-14-hydroxy-5,13,17,17-tetramethyl-7-oxo-2,6-dioxapentacyclo[8.8.0.01,15.03,8.011,13]octadeca-3(8),4,9-triene-11-carbaldehyde

Manual Xrefs	Databases
9156357	ChemSpider