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CHEBI:157613 - xanthoxycyclin B

ChEBI IDCHEBI:157613
ChEBI Namexanthoxycyclin B
Stars
Last Modified22 August 2023
Submittermwilliams
DownloadsMolfile
FormulaC44H57N7O7
Net Charge0
Average Mass795.982
Monoisotopic Mass795.43195
SMILESCC[C@H](C)[C@@H]1NC(=O)[C@H](C)NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(C)C)NC1=O
InChIInChI=1S/C44H57N7O7/c1-6-28(4)38-44(58)50-33(22-27(2)3)42(56)49-36(25-32-20-14-9-15-21-32)43(57)48-34(23-30-16-10-7-11-17-30)40(54)45-26-37(52)47-35(24-31-18-12-8-13-19-31)41(55)46-29(5)39(53)51-38/h7-21,27-29,33-36,38H,6,22-26H2,1-5H3,(H,45,54)(H,46,55)(H,47,52)(H,48,57)(H,49,56)(H,50,58)(H,51,53)/t28-,29-,33-,34-,35-,36-,38-/m0/s1
InChIKeySZGNYIFGECERBO-SRZLETEKSA-N
Species of MetaboliteComponentSourceComments
Melicope xanthoxyloides (ncbitaxon:1312821) leaf (BTO:0000713) PubMed (32817170)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
xanthoxycyclin B (CHEBI:157613) is a orbitide (CHEBI:157605)
Synonyms  Source
cyclo-GFAILFFSUBMITTER
cyclo-(Gly-Phe-Ala-Ile-Leu-Phe-Phe)SUBMITTER