CHEBI:211729 - Tiancilactone H

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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 Tiancilactone H
ChEBI ID CHEBI:211729
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C22H34O4
Net Charge 0
Average Mass 362.510
Monoisotopic Mass 362.24571
InChI InChI=1S/C22H34O4/c1-12-10-14-19-21(4)9-7-16(23)20(2,3)15(21)6-8-22(19,5)18(12)13(26-14)11-17(24)25/h10,13-16,18-19,23H,6-9,11H2,1-5H3,(H,24,25)/t13-,14+,15-,16-,18+,19+,21-,22+/m0/s1
InChIKey VPYDKRNAPAGWFD-SMMGSXOKSA-N
SMILES O=C(O)C[C@@H]1O[C@@H]2C=C([C@H]1[C@]3(CC[C@@H]4[C@@]([C@@H]23)(CC[C@@H](C4(C)C)O)C)C)C
Metabolite of Species Details
Streptomycesspecies CB03234 (NCBI:txid1703937) See: PubMed
ChEBI Ontology
Outgoing Tiancilactone H (CHEBI:211729) is a organic heterotricyclic compound (CHEBI:26979)
Tiancilactone H (CHEBI:211729) is a organooxygen compound (CHEBI:36963)
IUPAC Name
2-[(1R,2R,3S,6S,8R,11R,12S,13S)-6-hydroxy-3,7,7,11,16-pentamethyl-14-oxatetracyclo[10.2.2.02,11.03,8]hexadec-15-en-13-yl]acetic acid