Albatrelin D (CHEBI:204645)

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CHEBI:204645 - Albatrelin D

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ChEBI ID	CHEBI:204645
ChEBI Name	Albatrelin D
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C44H58O4
Net Charge	0
Average Mass	650.944
Monoisotopic Mass	650.43351
SMILES	CC(C)=CCC/C(C)=C/CC/C(C)=C/Cc1c(O)cc(C)c2c1oc1c3c(c(O)c(C)c12)O[C@](C)(CC/C=C(\C)CCC=C(C)C)C=C3
InChI	InChI=1S/C44H58O4/c1-28(2)15-11-17-30(5)19-13-20-32(7)22-23-35-37(45)27-33(8)38-39-34(9)40(46)43-36(42(39)47-41(35)38)24-26-44(10,48-43)25-14-21-31(6)18-12-16-29(3)4/h15-16,19,21-22,24,26-27,45-46H,11-14,17-18,20,23,25H2,1-10H3/b30-19+,31-21+,32-22+/t44-/m1/s1
InChIKey	URKKJJQZOARVCY-IMZRLPGDSA-N

Species of Metabolite	Component	Source	Comments
Albatrellus ovinus (ncbitaxon:139090)	-	PubMed (23305465)

ChEBI Ontology

Outgoing Relation(s)
	Albatrelin D (CHEBI:204645) is a sesquiterpenoid (CHEBI:26658)

IUPAC Name
(3R)-3-[(3E)-4,8-dimethylnona-3,7-dienyl]-3,6,7-trimethyl-10-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]-[1]benzouro[2,3-]chromene-5,9-diol

Manual Xrefs	Databases
29419722	ChemSpider