CHEBI:217047 - Aureochaeglobosin C

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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 Aureochaeglobosin C
ChEBI ID CHEBI:217047
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C45H54N2O7
Net Charge 0
Average Mass 734.934
Monoisotopic Mass 734.39310
InChI InChI=1S/C45H54N2O7/c1-6-7-8-14-28-23-54-42(40(28)50)31-16-12-17-32-36(31)41(51)38(48)25(3)20-24(2)13-11-18-33-39(49)27(5)26(4)37-35(47-44(53)45(33,37)43(32)52)21-29-22-46-34-19-10-9-15-30(29)34/h6-12,14-16,18-20,22,24,26,28,31-33,35-40,42,46,48-50H,5,13,17,21,23H2,1-4H3,(H,47,53)/t24-,26+,28+,31+,32-,33-,35-,36-,37-,38+,39+,40-,42+,45-/m0/s1
InChIKey NPKFMZBXJULNIQ-AOSFQBFNSA-N
SMILES O=C1[C@@]23C(=O)N[C@H]([C@@H]2[C@H](C)C([C@H]([C@@H]3C=CC[C@H](C)C=C([C@H](C([C@@H]4[C@@H]1CC=C[C@H]4[C@H]5OC[C@H]([C@@H]5O)C=CC=CC)=O)O)C)O)=C)CC=6C7=C(C=CC=C7)NC6
Metabolite of Species Details
Chaetomium globosum (NCBI:txid38033) See: PubMed
ChEBI Ontology
Outgoing Aureochaeglobosin C (CHEBI:217047) is a indoles (CHEBI:24828)
IUPAC Name
(1R,3S,7R,8S,10R,13S,17R,18S,20S,21R,22S)-10,18-dihydroxy-7-[(2R,3S,4R)-3-hydroxy-4-penta-1,3-dienyloxolan-2-yl]-22-(1H-indol-3-ylmethyl)-11,13,20-trimethyl-19-methylidene-23-azatetracyclo[15.7.0.01,21.03,8]tetracosa-5,11,15-triene-2,9,24-trione