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CHEBI:189281 - Bionectriol D

ChEBI IDCHEBI:189281
ChEBI NameBionectriol D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC38H68O11
Net Charge0
Average Mass700.951
Monoisotopic Mass700.47616
SMILESCC[C@H](C)C[C@H](C)C[C@H](C)[C@@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O)[C@@H](C)/C=C(\C)[C@@H](O)[C@@H](C)/C=C(\C)[C@@H](O)[C@@H](C)/C=C(\C)[C@@H](O)[C@@H](C)C(=O)O
InChIInChI=1S/C38H68O11/c1-12-19(2)13-20(3)14-26(9)36(49-38-35(45)34(44)33(43)29(18-39)48-38)27(10)17-24(7)31(41)22(5)15-21(4)30(40)23(6)16-25(8)32(42)28(11)37(46)47/h15-17,19-20,22-23,26-36,38-45H,12-14,18H2,1-11H3,(H,46,47)/b21-15+,24-17+,25-16+/t19-,20-,22-,23-,26-,27-,28+,29+,30+,31-,32+,33+,34-,35-,36+,38-/m0/s1
InChIKeyIXACCXKOOUBCOZ-SMYMJKOMSA-N
Species of MetaboliteComponentSourceComments
Arabidopsis thaliana (ncbitaxon:3702) leaf (BTO:0000713) MetaboLights (MTBLS3997)
ChEBI Ontology
Outgoing Relation(s)
Bionectriol D (CHEBI:189281) is a sesterterpenoid (CHEBI:26660)
IUPAC Name 
(2R,3S,4E,6S,7S,8E,10S,11S,12E,14S,15R,16S,18S,20S)-3,7,11-trihydroxy-2,4,6,8,10,12,14,16,18,20-decamethyl-15-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxydocosa-4,8,12-trienoic acid
Manual XrefsDatabases
58121885ChemSpider