CHEBI:224575 - Penispirozine E

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ChEBI Name Penispirozine E
ChEBI ID CHEBI:224575
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C20H22N2O9
Net Charge 0
Average Mass 434.401
Monoisotopic Mass 434.13253
InChI InChI=1S/C20H22N2O9/c1-29-12-5-3-9(14(24)15(12)30-2)7-10-17(26)22-20(18(27)21-10)8-19(28)13(31-20)6-4-11(23)16(19)25/h3-7,11,13,16,23-25,28H,8H2,1-2H3,(H,21,27)(H,22,26)/t11-,13+,16+,19+,20-/m1/s1
InChIKey SVZSHNMALOJOKU-UDIIKYEGSA-N
SMILES O=C1N[C@]2(O[C@H]3C=C[C@H]([C@@H]([C@@]3(C2)O)O)O)C(=O)NC1=CC4=C(O)C(OC)=C(OC)C=C4
Metabolite of Species Details
Penicillium (NCBI:txid5073) See: PubMed
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing Penispirozine E (CHEBI:224575) 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]spiro[3,4,5,7a-tetrahydro-1-benzouran-2,3'-piperazine]-2',5'-dione