Irpexolidal (CHEBI:225936)

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CHEBI:225936 - Irpexolidal

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ChEBI ID	CHEBI:225936
ChEBI Name	Irpexolidal
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C31H42O6
Net Charge	0
Average Mass	510.671
Monoisotopic Mass	510.29814
SMILES	CC1=C(C)[C@@]2(C[C@@H](C)[C@H]3[C@H](C[C@@]4(C)[C@]5(C=O)C=C6C(C)(C)[C@H](O)C[C@@H](O)[C@]6(C)C5=CC[C@]34C)O2)OC1=O
InChI	InChI=1S/C31H42O6/c1-16-12-31(18(3)17(2)25(35)37-31)36-19-13-28(7)27(6,24(16)19)10-9-20-29(8)21(14-30(20,28)15-32)26(4,5)22(33)11-23(29)34/h9,14-16,19,22-24,33-34H,10-13H2,1-8H3/t16-,19+,22-,23-,24+,27-,28-,29-,30+,31-/m1/s1
InChIKey	XDTLRFKISVHVBF-MDVZJRDJSA-N

Species of Metabolite	Component	Source	Comments
Irpex lacteus (ncbitaxon:5319)	-	PubMed (30673259)

ChEBI Ontology

Outgoing Relation(s)
	Irpexolidal (CHEBI:225936) is a terpene lactone (CHEBI:37668)

IUPAC Name
(1R,2R,4S,6R,8R,9R,10R,14S,15R,17R)-15,17-dihydroxy-2,3',4',8,10,14,18,18-octamethyl-5'-oxospiro[5-oxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-12,19-diene-6,2'-uran]-1-carbaldehyde