Dihydrotrichodimerol (CHEBI:225122)

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CHEBI:225122 - Dihydrotrichodimerol

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ChEBI ID	CHEBI:225122
ChEBI Name	Dihydrotrichodimerol
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C28H34O8
Net Charge	0
Average Mass	498.572
Monoisotopic Mass	498.22537
SMILES	C/C=C/C=C/C(O)=C1C(=O)[C@@]2(C)C3C(C(=O)CC/C=C/C)=C(O)[C@@]4(C)C1[C@]1(C)O[C@@]4(O)[C@@]3(C)O[C@@]12O
InChI	InChI=1S/C28H34O8/c1-7-9-11-13-15(29)17-19-23(3)22(32)18(16(30)14-12-10-8-2)20-24(4,21(17)31)28(34)25(19,5)35-27(23,33)26(20,6)36-28/h7-11,13,19-20,29,32-34H,12,14H2,1-6H3/b9-7+,10-8+,13-11+,17-15?/t19?,20?,23-,24-,25+,26+,27-,28-/m1/s1
InChIKey	VXNANBMCYPZBSM-VPIXFZJBSA-N

Species of Metabolite	Component	Source	Comments
Penicillium terrestre (ncbitaxon:374132)	-	PubMed (16392677)

ChEBI Ontology

Outgoing Relation(s)
	Dihydrotrichodimerol (CHEBI:225122) is a oxacycle (CHEBI:38104)

IUPAC Name
(1S,3R,4R,8S,10R,11R)-13-[(E)-hex-4-enoyl]-3,10,12-trihydroxy-6-[(2E,4E)-1-hydroxyhexa-2,4-dienylidene]-1,4,8,11-tetramethyl-2,9-dioxapentacyclo[8.4.0.03,8.04,14.07,11]tetradec-12-en-5-one