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CHEBI:208312 - Tetromycin 3

ChEBI IDCHEBI:208312
ChEBI NameTetromycin 3
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC48H60O14
Net Charge0
Average Mass860.994
Monoisotopic Mass860.39831
SMILESCOc1cc(O)cc(C)c1C(=O)OC1C(C)OC(OC2CC=C(C)C3C2CC(C)C2/C(C)=C\CC/C(C)=C\C4C=C(C(=O)O)C(C)CC45OC(=O)C(=C(O)C32C)C5=O)C(O)C1O
InChIInChI=1S/C48H60O14/c1-21-11-10-12-22(2)36-25(5)17-31-32(60-46-39(51)38(50)40(27(7)59-46)61-44(56)34-24(4)16-29(49)19-33(34)58-9)14-13-23(3)37(31)47(36,8)41(52)35-42(53)48(62-45(35)57)20-26(6)30(43(54)55)18-28(48)15-21/h12-13,15-16,18-19,25-28,31-32,36-40,46,49-52H,10-11,14,17,20H2,1-9H3,(H,54,55)/b21-15-,22-12-,41-35?
InChIKeyYPARMQCRPVECKG-UKPRUGKDSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (22072992)
ChEBI Ontology
Outgoing Relation(s)
Tetromycin 3 (CHEBI:208312) is a sesterterpenoid (CHEBI:26660)
IUPAC Name 
(7Z,11Z)-17-[3,4-dihydroxy-5-(4-hydroxy-2-methoxy-6-methylbenzoyl)oxy-6-methyloxan-2-yl]oxy-23-hydroxy-3,8,12,14,20,22-hexamethyl-25,27-dioxo-26-oxapentacyclo[22.2.1.01,6.013,22.016,21]heptacosa-4,7,11,19,23-pentaene-4-carboxylic acid