Noreupenifeldin B (CHEBI:209335)

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CHEBI:209335 - Noreupenifeldin B

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ChEBI ID	CHEBI:209335
ChEBI Name	Noreupenifeldin B
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C32H40O5
Net Charge	0
Average Mass	504.667
Monoisotopic Mass	504.28757
SMILES	Cc1cc(O)c(=O)cc2c1C[C@@H]1CC[C@]3(C)Oc4cc(O)cc(C)c4C[C@@H]3CC(C)(C)/C=C/C[C@@]1(C)O2
InChI	InChI=1S/C32H40O5/c1-19-12-23(33)16-28-25(19)15-22-18-30(3,4)9-7-10-31(5)21(8-11-32(22,6)36-28)14-24-20(2)13-26(34)27(35)17-29(24)37-31/h7,9,12-13,16-17,21-22,33H,8,10-11,14-15,18H2,1-6H3,(H,34,35)/b9-7+/t21-,22+,31+,32-/m0/s1
InChIKey	BUHLPZGJSXOBGG-GQTLXRTASA-N

Species of Metabolite	Component	Source	Comments
Neosetophoma (ncbitaxon:798068)	-	PubMed (30620608)

ChEBI Ontology

Outgoing Relation(s)
	Noreupenifeldin B (CHEBI:209335) is a 1-benzopyran (CHEBI:38443)

IUPAC Name
(1S,4S,13S,16E,19R)-8,24-dihydroxy-4,10,15,15,19,26-hexamethyl-5,20-dioxapentacyclo[17.9.0.04,13.06,11.021,27]octacosa-6(11),7,9,16,21,24,26-heptaen-23-one