CHEBI:157617 - xanthoxycyclin F

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name xanthoxycyclin F
ChEBI ID CHEBI:157617
Stars This entity has been manually annotated by a third party.
Submitter Mark Williams
Supplier Information
Download Molfile XML SDF
Formula C47H74N12O10
Net Charge 0
Average Mass 967.183
Monoisotopic Mass 966.56509
InChI InChI=1S/C47H74N12O10/c1-8-27(6)37-44(67)54-32(24-60)41(64)51-28(7)38(61)53-31(23-29-15-10-9-11-16-29)40(63)55-35(25(2)3)43(66)56-36(26(4)5)46(69)59-22-14-19-34(59)45(68)58-21-13-18-33(58)42(65)52-30(39(62)57-37)17-12-20-50-47(48)49/h9-11,15-16,25-28,30-37,60H,8,12-14,17-24H2,1-7H3,(H,51,64)(H,52,65)(H,53,61)(H,54,67)(H,55,63)(H,56,66)(H,57,62)(H4,48,49,50)/t27-,28-,30-,31-,32-,33-,34-,35-,36-,37-/m0/s1
InChIKey MMXQSJDNJFBVCZ-OWYYFYIDSA-N
SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC1=O)C(C)C)C(C)C
Metabolite of Species Details
Melicope xanthoxyloides (NCBI:txid1312821) Found in leaf (BTO:0000713). See: PubMed
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing xanthoxycyclin F (CHEBI:157617) is a orbitide (CHEBI:157605)
Synonyms Sources
cyclo-(Ala-Phe-Val-Val-Pro-Pro-Arg-Ile-Ser) SUBMITTER
cyclo-AFVVPPRIS SUBMITTER
Last Modified
22 August 2023