Atlanticone D (CHEBI:214084)

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CHEBI:214084 - Atlanticone D

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ChEBI ID	CHEBI:214084
ChEBI Name	Atlanticone D
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C15H24O4
Net Charge	0
Average Mass	268.353
Monoisotopic Mass	268.16746
SMILES	CC1(C)C[C@H]2[C@@](O)(C1)C(=O)[C@H](CO)[C@]1(O)CC[C@]21C
InChI	InChI=1S/C15H24O4/c1-12(2)6-10-13(3)4-5-15(13,19)9(7-16)11(17)14(10,18)8-12/h9-10,16,18-19H,4-8H2,1-3H3/t9-,10+,13+,14-,15+/m0/s1
InChIKey	PUIBQVQTYLGNIB-MGZPQWHJSA-N

Species of Metabolite	Component	Source	Comments
Lactarius atlanticus (ncbitaxon:1032834)	-	DOI (10.1002/1099-0690(200203)2002:6<988::aid-ejoc988>3.0.co;2-2)

ChEBI Ontology

Outgoing Relation(s)
	Atlanticone D (CHEBI:214084) is a diterpenoid (CHEBI:23849)

IUPAC Name
(2aR,3R,4aS,7aR,7bR)-2a,4a-dihydroxy-3-(hydroxymethyl)-6,6,7b-trimethyl-1,2,3,5,7,7a-hexahydrocyclobuta[e]inden-4-one

Manual Xrefs	Databases
9098790	ChemSpider