CHEBI:199658 - Tubingensin 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 Tubingensin B
ChEBI ID CHEBI:199658
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C28H35NO
Net Charge 0
Average Mass 401.594
Monoisotopic Mass 401.27186
InChI InChI=1S/C28H35NO/c1-17(2)27-12-11-26(4)18(3)9-10-25(30)28(26,14-13-27)22-15-20-19-7-5-6-8-23(19)29-24(20)16-21(22)27/h5-8,15-18,25,29-30H,9-14H2,1-4H3/t18-,25+,26+,27-,28+/m1/s1
InChIKey VQBYLQIQOJUYEJ-ZARMMOAGSA-N
SMILES O[C@@H]1[C@@]23C4=C(C=C5NC6=C(C5=C4)C=CC=C6)[C@@](C(C)C)(CC2)CC[C@]3([C@H](C)CC1)C
Metabolite of Species Details
Aspergillus tubingensis (NCBI:txid5068) See: DOI
ChEBI Ontology
Outgoing Tubingensin B (CHEBI:199658) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name
(1S,15R,18S,19R,22S)-18,19-dimethyl-15-propan-2-yl-11-azahexacyclo[13.7.2.01,18.02,14.04,12.05,10]tetracosa-2(14),3,5,7,9,12-hexaen-22-ol
Manual Xref Database
78436144 ChemSpider
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