CHEBI:219568 - Beauvenniatin 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 Beauvenniatin F
ChEBI ID CHEBI:219568
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C40H63N3O9
Net Charge 0
Average Mass 729.956
Monoisotopic Mass 729.45643
InChI InChI=1S/C40H63N3O9/c1-14-25(8)32-35(44)41(11)29(22-28-20-18-17-19-21-28)38(47)50-33(26(9)15-2)36(45)42(12)31(24(6)7)40(49)52-34(27(10)16-3)37(46)43(13)30(23(4)5)39(48)51-32/h17-21,23-27,29-34H,14-16,22H2,1-13H3/t25-,26-,27-,29-,30-,31-,32+,33+,34+/m0/s1
InChIKey IDKHVAXRADBCAM-YJNNGBFRSA-N
SMILES O=C1O[C@@H](C(=O)N([C@H](C(=O)O[C@@H](C(=O)N([C@H](C(O[C@@H](C(N([C@H]1C(C)C)C)=O)[C@H](CC)C)=O)CC2=CC=CC=C2)C)[C@H](CC)C)C(C)C)C)[C@H](CC)C
Metabolite of Species Details
Acremonium (NCBI:txid159075) See: DOI
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 Beauvenniatin F (CHEBI:219568) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name
(3S,6R,9S,12R,15S,18R)-3-benzyl-6,12,18-tris[(2S)-butan-2-yl]-4,10,16-trimethyl-9,15-di(propan-2-yl)-1,7,13-trioxa-4,10,16-triazacyclooctadecane-2,5,8,11,14,17-hexone
Manual Xref Database
78438186 ChemSpider
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