LIPID MAPS

Structure Database (LMSD)

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Systematic Name

Delphinidin 3,7,3',5'-tetra(6-O-p-coumaroyl-β-glucoside)

Synonyms

LM ID

LMPK12010310

Formula

C₇₅H₇₅O₃₅

Exact Mass

Calculate m/z

1535.4089

Status

Active

Show lipids differing only in stereochemistry/bond geometry

Main

Classification

String Representations

InChiKey (Click to copy)

JAJKWMTWUQEPJO-NCRYUWCTSA-O

InChi (Click to copy)

InChI=1S/C75H74O35/c76-39-13-1-34(2-14-39)9-21-54(81)98-30-50-59(86)63(90)67(94)72(107-50)102-43-27-45(80)44-29-49(106-75-70(97)66(93)62(89)53(110-75)33-101-57(84)24-12-37-7-19-42(79)20-8-37)71(103-46(44)28-43)38-25-47(104-73-68(95)64(91)60(87)51(108-73)31-99-55(82)22-10-35-3-15-40(77)16-4-35)58(85)48(26-38)105-74-69(96)65(92)61(88)52(109-74)32-100-56(83)23-11-36-5-17-41(78)18-6-36/h1-29,50-53,59-70,72-75,86-97H,30-33H2,(H5-,76,77,78,79,80,81,82,83,84,85)/p+1/t50-,51-,52-,53-,59-,60-,61-,62-,63+,64+,65+,66+,67-,68-,69-,70-,72-,73-,74-,75-/m1/s1

SMILES (Click to copy)

C1(O)C=C(O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](COC(/C=C/C3C=CC(O)=CC=3)=O)O2)C=C2[O+]=C(C3C=C(O[C@H]4[C@H](O)[C@@H](O)[C@H](O)[C@@H](COC(/C=C/C5C=CC(O)=CC=5)=O)O4)C(O)=C(O[C@H]4[C@H](O)[C@@H](O)[C@H](O)[C@@H](COC(/C=C/C5C=CC(O)=CC=5)=O)O4)C=3)C(O[C@H]3[C@H](O)[C@@H](O)[C@H](O)[C@@H](COC(/C=C/C4C=CC(O)=CC=4)=O)O3)=CC=12