CHEBI:210669 - Hydrocycloprostatin A

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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 A
ChEBI ID CHEBI:210669
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C21H23N3O4
Net Charge 0
Average Mass 381.432
Monoisotopic Mass 381.16886
InChI InChI=1S/C21H23N3O4/c1-12(2)10-16-17-14(13-6-3-4-7-15(13)22-17)11-21(28)18(25)23-9-5-8-20(23,27)19(26)24(16)21/h3-4,6-7,10,16,22,27-28H,5,8-9,11H2,1-2H3/t16-,20?,21-/m0/s1
InChIKey QZJUXQCZODUVGX-SVPGJFCKSA-N
SMILES O=C1N2C(O)(C(=O)N3[C@]1(O)CC=4C5=C(C=CC=C5)NC4[C@@H]3C=C(C)C)CCC2
ChEBI Ontology
Outgoing Hydrocycloprostatin A (CHEBI:210669) is a β-carbolines (CHEBI:60834)
IUPAC Name
(1S,12S)-1,15-dihydroxy-12-(2-methylprop-1-enyl)-10,13,19-triazapentacyclo[11.7.0.03,11.04,9.015,19]icosa-3(11),4,6,8-tetraene-14,20-dione
Manual Xref Database
78439149 ChemSpider
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