CHEBI:199478 - 24-hydroxyverruculogen

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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 24-hydroxyverruculogen
ChEBI ID CHEBI:199478
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C27H33N3O8
Net Charge 0
Average Mass 527.574
Monoisotopic Mass 527.22677
InChI InChI=1S/C27H33N3O8/c1-14(13-31)10-20-29-18-11-15(36-4)7-8-16(18)21-22(29)19(12-26(2,3)38-37-20)30-24(33)17-6-5-9-28(17)25(34)27(30,35)23(21)32/h7-8,10-11,17,19-20,23,31-32,35H,5-6,9,12-13H2,1-4H3/b14-10+/t17-,19-,20+,23-,27+/m0/s1
InChIKey OPUYAZPZORIADD-JKPGSCGLSA-N
SMILES O=C1N2[C@H](C(=O)N3[C@@]1(O)[C@@H](O)C=4C5=C(C=C(OC)C=C5)N6C4[C@@H]3CC(OO[C@@H]6/C=C(/CO)\C)(C)C)CCC2
Metabolite of Species Details
Penicillium (NCBI:txid5073) See: PubMed
ChEBI Ontology
Outgoing 24-hydroxyverruculogen (CHEBI:199478) is a β-carbolines (CHEBI:60834)
IUPAC Name
(9R,14S,17S,23R,24S)-23,24-dihydroxy-9-[(E)-3-hydroxy-2-methylprop-1-enyl]-5-methoxy-12,12-dimethyl-10,11-dioxa-8,15,21-triazahexacyclo[12.10.1.02,7.08,25.015,23.017,21]pentacosa-1(25),2(7),3,5-tetraene-16,22-dione
Manual Xref Database
32674758 ChemSpider
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