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Anhydrosafflor Yellow B

PropertiesImageOccurences in reactions
MNX_IDMNXM119192Image of MNXM119192
#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
formulaC48H52O26
charge0
mass1044.27468
referencehmdb:HMDB0031914
InChIKeyLBOXAMKXVULZTI-YDWXAUTNSA-N
InChIInChI=1S/C48H52O26/c49-13-22(56)30(57)37(64)40-27(28-33(60)25(20(54)11-5-16-1-7-18(52)8-2-16)41(67)47(70,43(28)69)45-38(65)35(62)31(58)23(14-50)72-45)29-34(61)26(21(55)12-6-17-3-9-19(53)10-4-17)42(68)48(71,44(29)74-40)46-39(66)36(63)32(59)24(15-51)73-46/h1-12,22-24,27,30-32,35-40,45-46,49-53,56-59,62-71H,13-15H2/b11-5+,12-6+
SMILESO=C(/C=C/c1ccc(O)cc1)C1=C(O)C(O)(C2OC(CO)C(O)C(O)C2O)C(O)=C(C2C3=C(OC2C(O)C(O)C(O)CO)C(O)(C2OC(CO)C(O)C(O)C2O)C(O)=C(C(=O)/C=C/c2ccc(O)cc2)C3=O)C1=O
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Similar chemical compounds in external resources
IdentifierDescription
hmdb:HMDB0031914 Anhydrosafflor Yellow B
6,7-dihydroxy-5-[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]-2-(1,2,3,4-tetrahydroxybutyl)-3-{2,3,4-trihydroxy-5-[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]-6-oxo-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]cyclohexa-1,4-dien-1-yl}-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-2,3,4,7-tetrahydro-1-benzofuran-4-one
6,7-dihydroxy-5-[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]-2-(1,2,3,4-tetrahydroxybutyl)-3-{2,3,4-trihydroxy-5-[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]-6-oxo-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]cyclohexa-1,4-dien-1-yl}-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-2,3-dihydro-1-benzofuran-4-one
hmdb:HMDB31914 secondary/obsolete/fantasy identifier