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CHEBI:220213 - Neotetrafibricin A

ChEBI IDCHEBI:220213
ChEBI NameNeotetrafibricin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC67H105NO19
Net Charge0
Average Mass1228.565
Monoisotopic Mass1227.72808
SMILESCC1OC(O[C@@H](CC=CC=CC=CC=CC=C[C@@H](O)[C@H](C)[C@@H](O)[C@@H](C)C=CCCC=CC=CC=CC=CC(=O)O)[C@@H](C)C(=O)C[C@H](O)C[C@H](O)C[C@H](O)C=CC[C@@H](O)C[C@H](O)C[C@@H](O)C[C@H](O)C=CC[C@H](O)C=CC[C@H](O)CCCN)C(O)C(O)C1O
InChIInChI=1S/C67H105NO19/c1-46(28-20-16-12-8-5-6-11-15-19-23-38-62(80)81)63(82)48(3)59(78)36-21-17-13-9-7-10-14-18-22-37-61(87-67-66(85)65(84)64(83)49(4)86-67)47(2)60(79)45-58(77)44-57(76)42-54(73)34-26-33-53(72)41-56(75)43-55(74)40-52(71)32-25-31-50(69)29-24-30-51(70)35-27-39-68/h5-11,13-15,17-26,28-29,32,34,36,38,46-59,61,63-67,69-78,82-85H,12,16,27,30-31,33,35,37,39-45,68H2,1-4H3,(H,80,81)/t46-,47-,48-,49?,50+,51-,52+,53+,54+,55-,56-,57+,58+,59+,61-,63-,64?,65?,66?,67?/m0/s1
InChIKeyUFKHAWLCPNOJCK-CMNRWXDESA-N
Species of MetaboliteComponentSourceComments
Streptomycesspecies (ncbitaxon:1931) - PubMed (28133950)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Neotetrafibricin A (CHEBI:220213) is a heterocyclic fatty acid (CHEBI:48847)