Phaeoside (CHEBI:198647)

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CHEBI:198647 - Phaeoside

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ChEBI ID	CHEBI:198647
ChEBI Name	Phaeoside
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C26H44O7
Net Charge	0
Average Mass	468.631
Monoisotopic Mass	468.30870
SMILES	C=C[C@@]1(C)CC[C@H]2[C@]3(C)[C@@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)CCC(C)(C)[C@H]3CC[C@]2(C)O1
InChI	InChI=1S/C26H44O7/c1-7-24(4)12-8-17-25(5,33-24)13-9-16-23(2,3)11-10-18(26(16,17)6)32-22-21(30)20(29)19(28)15(14-27)31-22/h7,15-22,27-30H,1,8-14H2,2-6H3/t15-,16-,17-,18+,19+,20+,21-,22+,24+,25+,26-/m1/s1
InChIKey	IQPDQUKPQATWOQ-BNHKDCJOSA-N

Species of Metabolite	Component	Source	Comments
Phaeosphaeriaspecies L487 (ncbitaxon:65784)	-	PubMed (15564689)

ChEBI Ontology

Outgoing Relation(s)
	Phaeoside (CHEBI:198647) is a triterpenoid (CHEBI:36615)

IUPAC Name
(2R,3R,4S,5R,6R)-2-[[(3R,4aS,6aR,10S,10aR,10bS)-3-ethenyl-3,4a,7,7,10a-pentamethyl-2,5,6,6a,8,9,10,10b-octahydro-1H-benzo[]chromen-10-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol

Manual Xrefs	Databases
28282349	ChemSpider