CHEBI:207667 - Tyromycic acid 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 Tyromycic acid B
ChEBI ID CHEBI:207667
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C34H50O7
Net Charge 0
Average Mass 570.767
Monoisotopic Mass 570.35565
InChI InChI=1S/C34H50O7/c1-19(11-10-12-20(2)30(38)39)23-15-18-33(8)24-13-14-25-31(5,6)26(37)16-17-32(25,7)27(24)28(40-21(3)35)29(34(23,33)9)41-22(4)36/h12,19,23,25,28-29H,10-11,13-18H2,1-9H3,(H,38,39)/b20-12-/t19-,23-,25+,28-,29-,32+,33+,34+/m1/s1
InChIKey ABJXQXSTZIZQEY-WCLUPPNXSA-N
SMILES O=C1C([C@H]2[C@](C3=C([C@]4([C@]([C@@H]([C@@H](CC/C=C(\C(=O)O)/C)C)CC4)(C)[C@@H]([C@@H]3OC(=O)C)OC(=O)C)C)CC2)(C)CC1)(C)C
Metabolite of Species Details
Pappia fissilis (NCBI:txid1040649) See: PubMed
ChEBI Ontology
Outgoing Tyromycic acid B (CHEBI:207667) is a triterpenoid (CHEBI:36615)
IUPAC Name
(Z,6R)-6-[(5R,10S,11R,12S,13R,14S,17R)-11,12-diacetyloxy-4,4,10,13,14-pentamethyl-3-oxo-1,2,5,6,7,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]-2-methylhept-2-enoic acid
Manual Xref Database
10183469 ChemSpider
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