CHEBI:209956 - Oxichaetoglobosin A/B

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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 Oxichaetoglobosin A/B
ChEBI ID CHEBI:209956
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C32H38N2O6
Net Charge 0
Average Mass 546.664
Monoisotopic Mass 546.27299
InChI InChI=1S/C32H38N2O6/c1-16-8-7-10-21-29-31(4,40-29)18(3)25-26(28(38)20-15-33-22-11-6-5-9-19(20)22)34-30(39)32(21,25)24(36)13-12-23(35)27(37)17(2)14-16/h5-7,9-11,14-16,18,21,23,25-26,28-29,33,35,38H,8,12-13H2,1-4H3,(H,34,39)/b10-7+,17-14+/t16-,18-,21-,23-,25-,26+,28?,29-,31+,32+/m0/s1
InChIKey URBMFWBRXLZNIG-AQAXDUOSSA-N
SMILES O=C1C(=C[C@H](CC=C[C@@H]2[C@]3(C(CC[C@@H]1O)=O)C(=O)N[C@H]([C@@H]3[C@H](C)[C@@]4([C@H]2O4)C)C(O)C=5C6=C(C=CC=C6)NC5)C)C
ChEBI Ontology
Outgoing Oxichaetoglobosin A/B (CHEBI:209956) is a indoles (CHEBI:24828)
IUPAC Name
(1R,5S,7E,9S,11E,13R,14S,16R,17S,18R,19R)-5-hydroxy-19-[hydroxy(1H-indol-3-yl)methyl]-7,9,16,17-tetramethyl-15-oxa-20-azatetracyclo[11.8.0.01,18.014,16]henicosa-7,11-diene-2,6,21-trione
Manual Xref Database
78439110 ChemSpider
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