CHEBI:223579 - Okaramine Q

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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 Okaramine Q
ChEBI ID CHEBI:223579
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C32H32N4O4
Net Charge 0
Average Mass 536.632
Monoisotopic Mass 536.24236
InChI InChI=1S/C32H32N4O4/c1-18-29(4,5)35-23-13-9-7-11-21(23)30(39)17-31(40)27(38)34-15-14-28(2,3)25-20(19-10-6-8-12-22(19)33-25)16-24(34)26(37)36(31)32(18,30)35/h6-16,18,33,39-40H,17H2,1-5H3/b15-14-,24-16-/t18-,30-,31+,32+/m0/s1
InChIKey WVQBDUCUXOANIV-AOXFNKRKSA-N
SMILES O=C1N2[C@](O)(C(=O)N3C1=CC=4C5=C(C=CC=C5)NC4C(C=C3)(C)C)C[C@]6([C@]27N(C=8C=CC=CC68)C(C)(C)[C@@H]7C)O
Metabolite of Species Details
Penicillium (NCBI:txid5073) See: PubMed
ChEBI Ontology
Outgoing Okaramine Q (CHEBI:223579) is a pyrroloindole (CHEBI:48133)
IUPAC Name
(1Z,4R,5S,14S,16R,19Z)-14,16-dihydroxy-5,6,6,21,21-pentamethyl-3,7,18,23-tetrazaoctacyclo[16.13.0.03,16.04,7.04,14.08,13.022,30.024,29]hentriaconta-1(31),8,10,12,19,22(30),24,26,28-nonaene-2,17-dione
Manual Xref Database
78438266 ChemSpider
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