Demethyltrichodimerol (CHEBI:207160)

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CHEBI:207160 - Demethyltrichodimerol

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ChEBI ID	CHEBI:207160
ChEBI Name	Demethyltrichodimerol
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C27H30O8
Net Charge	0
Average Mass	482.529
Monoisotopic Mass	482.19407
SMILES	C/C=C/C=C/C(O)=C1/C(=O)[C@@]2(C)C3/C(=C(O)\C=C\C=C\C)C(=O)[C@H]4C1[C@]1(C)O[C@@]4(O)[C@@]3(C)O[C@@]12O
InChI	InChI=1S/C27H30O8/c1-6-8-10-12-14(28)16-18-19-20(30)17(15(29)13-11-9-7-2)21-23(3,22(16)31)27(33)24(18,4)34-26(19,32)25(21,5)35-27/h6-13,18-19,21,28-29,32-33H,1-5H3/b8-6+,9-7+,12-10+,13-11+,16-14-,17-15+/t18?,19-,21?,23-,24+,25+,26-,27-/m1/s1
InChIKey	ULPDBVGKXVRYQX-NJLDYWKQSA-N

Species of Metabolite	Component	Source	Comments
Trichoderma (ncbitaxon:5543)	-	PubMed (27392553)

ChEBI Ontology

Outgoing Relation(s)
	Demethyltrichodimerol (CHEBI:207160) is a oxacycle (CHEBI:38104)

IUPAC Name
(1S,3R,4R,6Z,8S,10R,11R,13Z)-3,10-dihydroxy-6,13-bis[(2E,4E)-1-hydroxyhexa-2,4-dienylidene]-1,4,8-trimethyl-2,9-dioxapentacyclo[8.4.0.03,8.04,14.07,11]tetradecane-5,12-dione

Manual Xrefs	Databases
78437884	ChemSpider