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Details

Stereochemistry ABSOLUTE
Molecular Formula C26H29O15
Molecular Weight 581.4995
Optical Activity UNSPECIFIED
Defined Stereocenters 9 / 9
E/Z Centers 0
Charge 1

SHOW SMILES / InChI
Structure of CYANIDIN 3-O-SAMBUBIOSIDE ION

SMILES

OC[C@H]1O[C@@H](OC2=CC3=C(C=C(O)C=C3O)[O+]=C2C4=CC=C(O)C(O)=C4)[C@H](O[C@@H]5OC[C@@H](O)[C@H](O)[C@H]5O)[C@@H](O)[C@@H]1O

InChI

InChIKey=ZPPQIOUITZSYAO-AOBOYTTNSA-O
InChI=1S/C26H28O15/c27-7-18-20(34)21(35)24(41-25-22(36)19(33)15(32)8-37-25)26(40-18)39-17-6-11-13(30)4-10(28)5-16(11)38-23(17)9-1-2-12(29)14(31)3-9/h1-6,15,18-22,24-27,32-36H,7-8H2,(H3-,28,29,30,31)/p+1/t15-,18-,19+,20-,21+,22-,24-,25+,26-/m1/s1

HIDE SMILES / InChI

Molecular Formula C26H28O15
Molecular Weight 580.4915
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 9 / 9
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Targets

Primary TargetPharmacologyConditionPotency
Substance Class Chemical
Record UNII
7RKF71MYMB
Record Status Validated (UNII)
Record Version