CHEBI:210677 - Hydrocycloprostatin 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 Hydrocycloprostatin B
ChEBI ID CHEBI:210677
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C22H25N3O6
Net Charge 0
Average Mass 427.457
Monoisotopic Mass 427.17434
InChI InChI=1S/C22H25N3O6/c1-11(2)9-15-17-16(13-6-5-12(31-3)10-14(13)23-17)18(26)22(30)20(28)24-8-4-7-21(24,29)19(27)25(15)22/h5-6,9-10,15,18,23,26,29-30H,4,7-8H2,1-3H3/t15-,18-,21?,22-/m0/s1
InChIKey IMHUEQFKKFHEOM-KZAMVRPQSA-N
SMILES O=C1N2C(O)(C(=O)N3[C@]1(O)[C@@H](O)C=4C5=C(C=C(OC)C=C5)NC4[C@@H]3C=C(C)C)CCC2
ChEBI Ontology
Outgoing Hydrocycloprostatin B (CHEBI:210677) is a β-carbolines (CHEBI:60834)
IUPAC Name
(1S,2S,12S)-1,2,15-trihydroxy-7-methoxy-12-(2-methylprop-1-enyl)-10,13,19-triazapentacyclo[11.7.0.03,11.04,9.015,19]icosa-3(11),4(9),5,7-tetraene-14,20-dione
Manual Xref Database
78439150 ChemSpider
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