CHEBI:135840 - hidrosmin

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name hidrosmin
ChEBI ID CHEBI:135840
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C30H36O16
Net Charge 0
Average Mass 652.598
Monoisotopic Mass 652.20034
InChI InChI=1S/C30H36O16/c1-12-23(34)25(36)27(38)29(43-12)42-11-21-24(35)26(37)28(39)30(46-21)44-14-8-19(41-6-5-31)22-16(33)10-18(45-20(22)9-14)13-3-4-17(40-2)15(32)7-13/h3-4,7-10,12,21,23-32,34-39H,5-6,11H2,1-2H3/t12-,21+,23-,24+,25+,26-,27+,28+,29+,30+/m0/s1
InChIKey XYFLWVOTXWXNAM-WTNNCJBMSA-N
SMILES O(CCO)C1=C2C(OC(=CC2=O)C3=CC(O)=C(C=C3)OC)=CC(=C1)O[C@@H]4O[C@H](CO[C@H]5[C@H](O)[C@H](O)[C@H]([C@@H](O5)C)O)[C@H]([C@@H]([C@H]4O)O)O
ChEBI Ontology
Outgoing hidrosmin (CHEBI:135840) is a flavonoids (CHEBI:72544)
hidrosmin (CHEBI:135840) is a glycoside (CHEBI:24400)
Synonym Source
venosmil DrugCentral
Manual Xref Database
3956 DrugCentral
View more database links
Registry Number Type Source
115960-14-0 CAS Registry Number DrugCentral
Last Modified
23 February 2017