CHEBI:207129 - Okaramine D

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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 D
ChEBI ID CHEBI:207129
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C33H34N4O6
Net Charge 0
Average Mass 582.657
Monoisotopic Mass 582.24783
InChI InChI=1S/C33H34N4O6/c1-29(2)14-15-35-23(16-19-18-10-6-8-12-21(18)34-25(19)29)26(39)37-32(42,28(35)40)27(43-5)31(41)20-11-7-9-13-22(20)36-30(3,4)24(17-38)33(31,36)37/h6-16,24,27,34,38,41-42H,17H2,1-5H3/b15-14-,23-16-/t24-,27+,31+,32+,33+/m1/s1
InChIKey VIKRIYAAOWJXCT-ZLMSUABPSA-N
SMILES O=C1N2[C@@](O)(C(=O)N3C1=CC=4C5=C(C=CC=C5)NC4C(C=C3)(C)C)[C@@H](OC)[C@@]6([C@@]27N(C=8C=CC=CC68)C(C)(C)[C@H]7CO)O
Metabolite of Species Details
Penicillium (NCBI:txid5073) See: DOI
ChEBI Ontology
Outgoing Okaramine D (CHEBI:207129) is a pyrroloindole (CHEBI:48133)
IUPAC Name
(1Z,4S,5R,14R,15S,16S,19Z)-14,16-dihydroxy-5-(hydroxymethyl)-15-methoxy-6,6,21,21-tetramethyl-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
65104344 ChemSpider
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