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CHEBI:222380 - Metachelin A-CE

ChEBI IDCHEBI:222380
ChEBI NameMetachelin A-CE
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC45H71N5O22
Net Charge0
Average Mass1034.076
Monoisotopic Mass1033.45907
SMILESC/C(=C\C(=O)N(O)CCC[C@@H]1NC(=O)[C@H](CCCN(O)C(=O)/C=C(\C)CCO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)NC1=O)CCOC(=O)/C=C/CCN(O)C(=O)/C=C(\C)CCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O
InChIInChI=1S/C45H71N5O22/c1-25(11-17-68-35(56)10-4-5-14-48(65)32(53)21-26(2)12-18-69-44-40(61)38(59)36(57)30(23-51)71-44)20-33(54)49(66)15-6-8-28-42(63)47-29(43(64)46-28)9-7-16-50(67)34(55)22-27(3)13-19-70-45-41(62)39(60)37(58)31(24-52)72-45/h4,10,20-22,28-31,36-41,44-45,51-52,57-62,65-67H,5-9,11-19,23-24H2,1-3H3,(H,46,64)(H,47,63)/b10-4+,25-20+,26-21+,27-22+/t28-,29-,30+,31+,36+,37+,38-,39-,40-,41-,44+,45+/m0/s1
InChIKeyJKROEXKICKZWAC-MYJVIFIFSA-N
Species of MetaboliteComponentSourceComments
Trichoderma hypoxylon (ncbitaxon:1888172) - PubMed (33758985)
ChEBI Ontology
Outgoing Relation(s)
Metachelin A-CE (CHEBI:222380) is a O-acyl carbohydrate (CHEBI:52782)