CHEBI:5602 - Haemocorin

ChEBI IDCHEBI:5602
ChEBI NameHaemocorin
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC32H34O14
Net Charge0
Average Mass642.610
Monoisotopic Mass642.19486
SMILESCOc1cc2c3c(c(-c4ccccc4)ccc3c1O)C(=O)C(O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]1O)=C2
InChIInChI=1S/C32H34O14/c1-42-17-9-14-10-18(24(36)22-15(13-5-3-2-4-6-13)7-8-16(21(14)22)23(17)35)43-31-29(41)27(39)30(20(12-34)45-31)46-32-28(40)26(38)25(37)19(11-33)44-32/h2-10,19-20,25-35,37-41H,11-12H2,1H3/t19-,20-,25-,26+,27-,28-,29-,30-,31-,32+/m1/s1
InChIKeyFNZZYRONWCJZTM-CXWOCMNWSA-N
ChEBI Ontology
Outgoing Relation(s)
Haemocorin (CHEBI:5602) is a benzenes (CHEBI:22712)
Haemocorin (CHEBI:5602) is a naphthalenes (CHEBI:25477)
Haemocorin (CHEBI:5602) is a ring assembly (CHEBI:36820)
Synonym  Source
HaemocorinKEGG COMPOUND
Manual XrefsDatabases
C09932KEGG COMPOUND
C00002994KNApSAcK
Registry NumbersSources
CAS:11034-94-9KEGG COMPOUND