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CHEBI:220217 - Neotetrafibricin B

ChEBI IDCHEBI:220217
ChEBI NameNeotetrafibricin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC61H95NO15
Net Charge0
Average Mass1082.423
Monoisotopic Mass1081.67017
SMILESC[C@H]([C@@H](O)[C@@H](C)C=CCCC=CC=CC=CC=CC(=O)O)[C@H](O)C=CC=CC=CC=CC=CC[C@H](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
InChIInChI=1S/C61H95NO15/c1-45(27-19-15-11-7-4-5-10-14-18-22-37-60(75)76)61(77)47(3)58(73)36-21-17-13-9-6-8-12-16-20-35-57(72)46(2)59(74)44-56(71)43-55(70)41-52(67)33-25-32-51(66)40-54(69)42-53(68)39-50(65)31-24-30-48(63)28-23-29-49(64)34-26-38-62/h4-10,12-14,16-25,27-28,31,33,36-37,45-58,61,63-73,77H,11,15,26,29-30,32,34-35,38-44,62H2,1-3H3,(H,75,76)/t45-,46+,47-,48+,49-,50+,51+,52+,53-,54-,55+,56+,57-,58+,61-/m0/s1
InChIKeyRMPUZGPMNWWKPB-YROSFSCNSA-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 B (CHEBI:220217) is a hydroxy fatty acid (CHEBI:24654)