CHEBI:2544 - albanol A

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name albanol A
ChEBI ID CHEBI:2544
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C34H26O8
Net Charge 0
Average Mass 562.567
Monoisotopic Mass 562.16277
InChI InChI=1S/C34H26O8/c1-16-8-23-22-6-4-21(37)15-30(22)41-34(25-7-5-19(35)13-26(25)38)33(23)24(9-16)32-27(39)10-18(12-31(32)42-34)28-11-17-2-3-20(36)14-29(17)40-28/h2-7,9-15,23-24,33,35-39H,8H2,1H3/t23-,24-,33-,34+/m0/s1
InChIKey MJJWBJFYYRAYKU-OPKNDJPNSA-N
SMILES CC1=C[C@@H]2[C@@H]3[C@@H](C1)c1ccc(O)cc1O[C@@]3(Oc1cc(cc(O)c21)-c1cc2ccc(O)cc2o1)c1ccc(O)cc1O
ChEBI Ontology
Outgoing albanol A (CHEBI:2544) is a 1-benzofurans (CHEBI:38830)
albanol A (CHEBI:2544) is a organic heteropentacyclic compound (CHEBI:38164)
Synonyms Sources
Albanol A KEGG COMPOUND
Mulberrofuran G KEGG COMPOUND
Manual Xrefs Databases
C00002392 KNApSAcK
C08738 KEGG COMPOUND
View more database links
Registry Number Type Source
87085-00-5 CAS Registry Number KEGG COMPOUND
Last Modified
28 July 2014