EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:223894 - Rhinomilisin A

ChEBI IDCHEBI:223894
ChEBI NameRhinomilisin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H41ClO10
Net Charge0
Average Mass597.101
Monoisotopic Mass596.23883
SMILESCC(C)[C@@H]1CC[C@](O)(CCl)[C@@H]2C(=O)OCC(C(=O)OC[C@@]3(O)CC[C@@H](C(C)C)[C@@H]4C=C(C(=O)O)COC(=O)[C@H]43)=C[C@H]21
InChIInChI=1S/C30H41ClO10/c1-15(2)19-5-7-29(37,13-31)23-22(19)10-18(12-40-27(23)35)26(34)41-14-30(38)8-6-20(16(3)4)21-9-17(25(32)33)11-39-28(36)24(21)30/h9-10,15-16,19-24,37-38H,5-8,11-14H2,1-4H3,(H,32,33)/t19-,20-,21-,22-,23-,24-,29-,30-/m0/s1
InChIKeyFIEQQNHDRLOILS-TYKFYTCVSA-N
Species of MetaboliteComponentSourceComments
Rhinocladiella similis (ncbitaxon:319420) - PubMed (31044595)
ChEBI Ontology
Outgoing Relation(s)
Rhinomilisin A (CHEBI:223894) is a terpene lactone (CHEBI:37668)
IUPAC Name 
(5aR,6S,9R,9aR)-9-[[(5aR,6S,9R,9aR)-9-(chloromethyl)-9-hydroxy-1-oxo-6-propan-2-yl-3,5a,6,7,8,9a-hexahydro-2-benzoxepine-4-carbonyl]oxymethyl]-9-hydroxy-1-oxo-6-propan-2-yl-3,5a,6,7,8,9a-hexahydro-2-benzoxepine-4-carboxylic acid