pelargonidin 3-O-β-D-sambubioside

Chemical Formula:

C₂₆H₂₇O₁₄

Molecular Weight:

563.491 Daltons

Monoisotopic Mass:

565.1557306403 Daltons

SMILES:

C5(C(C4([O+]=C1(C(C([O-])=CC([O-])=C1)=CC(OC3(OC(C(O)C(O)C(OC2(OCC(O)C(O)C(O)2))3)CO))=4)))=CC=C(O)C=5)

InChI:

1S/C26H28O14/c27-8-18-20(33)21(34)24(40-25-22(35)19(32)15(31)9-36-25)26(39-18)38-17-7-13-14(30)5-12(29)6-16(13)37-23(17)10-1-3-11(28)4-2-10/h1-7,15,18-22,24-27,31-35H,8-9H2,(H2-,28,29,30)/p-1/t15-,18-,19+,20-,21+,22-,24-,25+,26-/m1/s1

InChIKey:

NKUOSFBSKVBOJC-AOBOYTTNSA-M

Synonyms

pelargonidin 3-O-[2"-O-(xylosyl)] glucoside
pelargonidin 3-sambubioside

Databases

MetaCyc: CPD-18091

PubChem (CID): 102515381

ChemSpider: 29368405

ChEBI: 74809

MetaNetX: MNXM24447

KEGG: C20489