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CHEBI:224098 - Clavariopsin F

ChEBI IDCHEBI:224098
ChEBI NameClavariopsin F
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC59H95N9O14
Net Charge0
Average Mass1154.458
Monoisotopic Mass1153.69985
SMILESCC[C@H](C)[C@H]1C(=O)NCC(=O)N(C)[C@@H](C(C)C)C(=O)N[C@@H](Cc2ccc(OC)cc2)C(=O)O[C@H](C(C)C)C(=O)N2CCCC[C@H]2C(=O)N(C)[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)N(C)[C@@H](CC(=O)O)C(=O)N(C)[C@@H](CC(C)C)C(=O)N1C
InChIInChI=1S/C59H95N9O14/c1-19-37(12)49-51(72)60-31-44(69)65(15)47(34(6)7)52(73)61-40(29-38-23-25-39(81-18)26-24-38)59(80)82-50(36(10)11)58(79)68-27-21-20-22-41(68)54(75)66(16)48(35(8)9)53(74)62-46(33(4)5)57(78)64(14)43(30-45(70)71)55(76)63(13)42(28-32(2)3)56(77)67(49)17/h23-26,32-37,40-43,46-50H,19-22,27-31H2,1-18H3,(H,60,72)(H,61,73)(H,62,74)(H,70,71)/t37-,40-,41-,42-,43-,46-,47-,48-,49-,50+/m0/s1
InChIKeyFVVVVLTXKSMHHN-ZEYDOXAQSA-N
Species of MetaboliteComponentSourceComments
Clavariopsis aquatica (ncbitaxon:253306) - PubMed (31244144)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Clavariopsin F (CHEBI:224098) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
2-[(3R,6S,9S,15S,18S,21S,24S,27S,30S)-15-[(2S)-butan-2-yl]-6-[(4-methoxyphenyl)methyl]-10,16,19,22,28-pentamethyl-18-(2-methylpropyl)-2,5,8,11,14,17,20,23,26,29-decaoxo-3,9,24,27-tetra(propan-2-yl)-4-oxa-1,7,10,13,16,19,22,25,28-nonazabicyclo[28.4.0]tetratriacontan-21-yl]acetic acid
Manual XrefsDatabases
128438035ChemSpider