Penispirozine G (CHEBI:224585)

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CHEBI:224585 - Penispirozine G

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ChEBI ID	CHEBI:224585
ChEBI Name	Penispirozine G
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C21H24N2O9
Net Charge	0
Average Mass	448.428
Monoisotopic Mass	448.14818
SMILES	COc1ccc(C=C2C(=O)N[C@@]3(C[C@]4(O)[C@H](C=C[C@@H](O)[C@@H]4O)O3)C(=O)N2C)c(O)c1OC
InChI	InChI=1S/C21H24N2O9/c1-23-11(8-10-4-6-13(30-2)16(31-3)15(10)25)18(27)22-21(19(23)28)9-20(29)14(32-21)7-5-12(24)17(20)26/h4-8,12,14,17,24-26,29H,9H2,1-3H3,(H,22,27)/t12-,14+,17+,20+,21-/m1/s1
InChIKey	HCKQCACCKTUAQG-NSBANYLGSA-N

Species of Metabolite	Component	Source	Comments
Penicillium (ncbitaxon:5073)	-	PubMed (32816473)

Roles Classification

Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base).

ChEBI Ontology

Outgoing Relation(s)
	Penispirozine G (CHEBI:224585) is a N-acyl-amino acid (CHEBI:51569)

IUPAC Name
(2R,3aR,4S,5R,7aS)-3a,4,5-trihydroxy-6'-[(2-hydroxy-3,4-dimethoxyphenyl)methylidene]-1'-methylspiro[3,4,5,7a-tetrahydro-1-benzouran-2,3'-piperazine]-2',5'-dione