CHEBI:144436 - petiolaroside(1−)

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name petiolaroside(1−)
ChEBI ID CHEBI:144436
ChEBI ASCII Name petiolaroside(1-)
Stars This entity has been manually annotated by a third party.
Submitter Kristian Axelsen
Supplier Information
Download Molfile XML SDF
Formula C27H29O16
Net Charge -1
Average Mass 609.514
Monoisotopic Mass 609.14611
InChI InChI=1S/C27H30O16/c1-8-17(32)20(35)22(37)26(39-8)40-10-5-13(31)16-14(6-10)41-24(9-2-3-11(29)12(30)4-9)25(19(16)34)43-27-23(38)21(36)18(33)15(7-28)42-27/h2-6,8,15,17-18,20-23,26-33,35-38H,7H2,1H3/p-1/t8-,15+,17-,18+,20+,21-,22+,23+,26-,27-/m0/s1
InChIKey OTUCXMIQUNROBJ-JFNZIVIESA-M
SMILES C1=C(C=C(C2=C1OC(=C(C2=O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)C4=CC=C(C(=C4)O)O)[O-])O[C@H]5[C@@H]([C@@H]([C@H]([C@@H](O5)C)O)O)O
ChEBI Ontology
Outgoing petiolaroside(1−) (CHEBI:144436) is a flavonoid oxoanion (CHEBI:60038)
petiolaroside(1−) (CHEBI:144436) is conjugate base of petiolaroside (CHEBI:67931)
Incoming petiolaroside (CHEBI:67931) is conjugate acid of petiolaroside(1−) (CHEBI:144436)
Synonym Source
quercetin 3-O-β-D-glucoside-7-O-α-L-rhamnoside UniProt