EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:224427 - Heimiomycin B

ChEBI IDCHEBI:224427
ChEBI NameHeimiomycin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H28O8
Net Charge0
Average Mass492.524
Monoisotopic Mass492.17842
SMILESCC(C)[C@H]1CC[C@H](C)c2c(O)c(O)c(C=O)c(-c3c(O)cc(/C=C/c4ccc(O)c(O)c4)oc3=O)c21
InChIInChI=1S/C28H28O8/c1-13(2)17-8-4-14(3)22-23(17)24(18(12-29)26(33)27(22)34)25-21(32)11-16(36-28(25)35)7-5-15-6-9-19(30)20(31)10-15/h5-7,9-14,17,30-34H,4,8H2,1-3H3/b7-5+/t14-,17+/m0/s1
InChIKeyMYZAKHBZTJWBBA-KQTBYGHGSA-N
Species of MetaboliteComponentSourceComments
Heimiomyces (ncbitaxon:181956) - PubMed (32786884)
ChEBI Ontology
Outgoing Relation(s)
Heimiomycin B (CHEBI:224427) is a terpene lactone (CHEBI:37668)
IUPAC Name 
(5S,8R)-1-[6-[(E)-2-(3,4-dihydroxyphenyl)ethenyl]-4-hydroxy-2-oxopyran-3-yl]-3,4-dihydroxy-5-methyl-8-propan-2-yl-5,6,7,8-tetrahydronaphthalene-2-carbaldehyde