Dendrodochol D (CHEBI:222852)

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CHEBI:222852 - Dendrodochol D

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ChEBI ID	CHEBI:222852
ChEBI Name	Dendrodochol D
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C14H22O5
Net Charge	0
Average Mass	270.325
Monoisotopic Mass	270.14672
SMILES	C[C@@H](O)/C=C/C=C/[C@H]1OC[C@H]2[C@@H](O)[C@@H](O)[C@H](O)C[C@@H]21
InChI	InChI=1S/C14H22O5/c1-8(15)4-2-3-5-12-9-6-11(16)14(18)13(17)10(9)7-19-12/h2-5,8-18H,6-7H2,1H3/b4-2+,5-3+/t8-,9+,10-,11-,12-,13-,14+/m1/s1
InChIKey	KBKBJVZZIPXQCD-HGQLRBIYSA-N

Species of Metabolite	Component	Source	Comments
Dendrodochiumspecies (ncbitaxon:2233641)	-	PubMed (24749951)

ChEBI Ontology

Outgoing Relation(s)
	Dendrodochol D (CHEBI:222852) is a aliphatic alcohol (CHEBI:2571)

IUPAC Name
(1R,3aS,4R,5S,6R,7aS)-1-[(1E,3E,5R)-5-hydroxyhexa-1,3-dienyl]-1,3,3a,4,5,6,7,7a-octahydro-2-benzouran-4,5,6-triol

Manual Xrefs	Databases
32033956	ChemSpider