CHEBI:213720 - 13-O-prenyl-26-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 13-O-prenyl-26-hydroxyverruculogen
ChEBI ID CHEBI:213720
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C32H41N3O8
Net Charge 0
Average Mass 595.693
Monoisotopic Mass 595.28937
InChI InChI=1S/C32H41N3O8/c1-17(2)12-14-41-28-24-20-11-10-19(40-7)16-22(20)34-23(15-18(3)4)42-43-31(5,6)27(36)26(25(24)34)35-29(37)21-9-8-13-33(21)30(38)32(28,35)39/h10-12,15-16,21,23,26-28,36,39H,8-9,13-14H2,1-7H3/t21-,23+,26+,27-,28-,32+/m0/s1
InChIKey PQHVXIYRRCWHND-MNPVNPTDSA-N
SMILES O=C1N2[C@H](C(=O)N3[C@@]1(O)[C@@H](OCC=C(C)C)C=4C5=C(C=C(OC)C=C5)N6C4[C@@H]3[C@H](O)C(OO[C@@H]6C=C(C)C)(C)C)CCC2
Metabolite of Species Details
Penicillium (NCBI:txid5073) See: PubMed
ChEBI Ontology
Outgoing 13-O-prenyl-26-hydroxyverruculogen (CHEBI:213720) is a β-carbolines (CHEBI:60834)
IUPAC Name
(9R,13S,14R,17S,23R,24S)-13,23-dihydroxy-5-methoxy-12,12-dimethyl-24-(3-methylbut-2-enoxy)-9-(2-methylprop-1-enyl)-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
32674760 ChemSpider
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