Terminology Service for NFDI4Health
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isorhamnetin-3-O-rutinoside

Go to external page http://purl.obolibrary.org/obo/CHEBI_145096

Term info

Label

isorhamnetin-3-O-rutinoside

Subsets

2_STAR

charge

0

formula

C28H32O16

has obo namespace

chebi_ontology

id

CHEBI:145096

inchi

InChI=1S/C28H32O16/c1-9-18(32)21(35)23(37)27(41-9)40-8-16-19(33)22(36)24(38)28(43-16)44-26-20(34)17-13(31)6-11(29)7-15(17)42-25(26)10-3-4-12(30)14(5-10)39-2/h3-7,9,16,18-19,21-24,27-33,35-38H,8H2,1-2H3/t9-,16+,18-,19+,21+,22-,23+,24+,27+,28-/m0/s1

inchikey

UIDGLYUNOUKLBM-GEBJFKNCSA-N

mass

624.548

monoisotopicmass

624.16903

smiles

O1[C@@H]([C@@H](O)[C@H](O)[C@@H](O)[C@@H]1OC2=C(OC=3C(C2=O)=C(O)C=C(O)C3)C4=CC(OC)=C(O)C=C4)CO[C@@H]5O[C@H]([C@H](O)[C@@H](O)[C@H]5O)C