Pteridic acid G (CHEBI:226434)

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CHEBI:226434 - Pteridic acid G

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ChEBI ID	CHEBI:226434
ChEBI Name	Pteridic acid G
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C22H36O6
Net Charge	0
Average Mass	396.524
Monoisotopic Mass	396.25119
SMILES	CC[C@H]1[C@H](O)C[C@@]2(O[C@@H]([C@@H](C)/C=C/C=C/C(=O)OC)[C@@H](C)[C@@H](O)[C@@H]2C)O[C@@H]1C
InChI	InChI=1S/C22H36O6/c1-7-17-16(5)27-22(12-18(17)23)15(4)20(25)14(3)21(28-22)13(2)10-8-9-11-19(24)26-6/h8-11,13-18,20-21,23,25H,7,12H2,1-6H3/b10-8+,11-9+/t13-,14-,15-,16+,17+,18+,20+,21-,22-/m0/s1
InChIKey	MSFATTXTDHLTMG-DMTWHGMHSA-N

Species of Metabolite	Component	Source	Comments
Streptomycesspecies SCSGAA 0027 (ncbitaxon:2979574)	-	PubMed (28951600)

ChEBI Ontology

Outgoing Relation(s)
	Pteridic acid G (CHEBI:226434) is a fatty acid ester (CHEBI:35748)

IUPAC Name
methyl (2E,4E,6S)-6-[(2S,3S,4R,5S,6S,8R,9S,10R)-9-ethyl-4,10-dihydroxy-3,5,8-trimethyl-1,7-dioxaspiro[5.5]undecan-2-yl]hepta-2,4-dienoate

Manual Xrefs	Databases
62277913	ChemSpider