EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:188812 - (S)-TRIP

ChEBI IDCHEBI:188812
ChEBI Name(S)-TRIP
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC50H57O4P
Net Charge0
Average Mass752.976
Monoisotopic Mass752.39945
SMILESCC(C)c1cc(C(C)C)c(-c2cc3ccccc3c3c2OP(=O)(O)Oc2c(-c4c(C(C)C)cc(C(C)C)cc4C(C)C)cc4ccccc4c2-3)c(C(C)C)c1
InChIInChI=1S/C50H57O4P/c1-27(2)35-23-39(29(5)6)45(40(24-35)30(7)8)43-21-33-17-13-15-19-37(33)47-48-38-20-16-14-18-34(38)22-44(50(48)54-55(51,52)53-49(43)47)46-41(31(9)10)25-36(28(3)4)26-42(46)32(11)12/h13-32H,1-12H3,(H,51,52)
InChIKeyAGQAQYPGJDBIQR-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Phyllostachys violascens (ncbitaxon:1903417) stem (BTO:0001300) MetaboLights (MTBLS3970) Strain: Phyllostachys violascens cv. Viridisulcata
ChEBI Ontology
Outgoing Relation(s)
(S)-TRIP (CHEBI:188812) is a benzenes (CHEBI:22712)
(S)-TRIP (CHEBI:188812) is a naphthalenes (CHEBI:25477)
(S)-TRIP (CHEBI:188812) is a ring assembly (CHEBI:36820)
IUPAC Name 
13-hydroxy-10,16-bis[2,4,6-tri(propan-2-yl)phenyl]-12,14-dioxa-13lambda5-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene 13-oxide
Manual XrefsDatabases
9673487ChemSpider