CHEBI:224560 - Penispirozine B

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Penispirozine B
ChEBI ID CHEBI:224560
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C22H26N2O8S2
Net Charge 0
Average Mass 510.580
Monoisotopic Mass 510.11306
InChI InChI=1S/C22H26N2O8S2/c1-24-19(28)21(9-20(29)13(34-21)8-6-11(25)16(20)26)23-18(27)22(24)17(33-4)10-5-7-12(30-2)15(31-3)14(10)32-22/h5-8,11,13,16-17,25-26,29H,9H2,1-4H3,(H,23,27)/t11-,13+,16+,17-,20+,21-,22+/m1/s1
InChIKey WYZUOAVZOKJFKT-QBVCGWBQSA-N
SMILES S1[C@]2(NC(=O)[C@]3(OC=4C(OC)=C(OC)C=CC4[C@H]3SC)N(C2=O)C)C[C@@]5([C@@H]1C=C[C@@H](O)[C@@H]5O)O
Metabolite of Species Details
Penicillium (NCBI:txid5073) See: PubMed
ChEBI Ontology
Outgoing Penispirozine B (CHEBI:224560) has functional parent α-amino acid (CHEBI:33704)
Penispirozine B (CHEBI:224560) is a organonitrogen compound (CHEBI:35352)
Penispirozine B (CHEBI:224560) is a organooxygen compound (CHEBI:36963)
Manual Xref Database
92172177 ChemSpider
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