id | C00006900 |
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Name | Petanin / Petunidin 3-O-[6-O-(4-O-(E)-p-coumaroyl-O-alpha-rhamnopyranosyl)-beta-glucopyranoside]-5-O-beta-glucopyranoside |
CAS RN | 69915-09-9 |
Standard InChI | InChI=1S/C43H48O23/c1-16-39(66-29(48)8-5-17-3-6-19(45)7-4-17)35(54)38(57)41(60-16)59-15-28-32(51)34(53)37(56)43(65-28)63-26-13-21-23(61-40(26)18-9-22(47)30(49)25(10-18)58-2)11-20(46)12-24(21)62-42-36(55)33(52)31(50)27(14-44)64-42/h3-13,16,27-28,31-39,41-44,50-57H,14-15H2,1-2H3,(H3-,45,46,47,48,49)/p+1/t16?,27?,28?,31-,32-,33+,34?,35-,36?,37?,38?,39+,41-,42-,43-/m1/s1 |
Standard InChI (Main Layer) | InChI=1S/C43H48O23/c1-16-39(66-29(48)8-5-17-3-6-19(45)7-4-17)35(54)38(57)41(60-16)59-15-28-32(51)34(53)37(56)43(65-28)63-26-13-21-23(61-40(26)18-9-22(47)30(49)25(10-18)58-2)11-20(46)12-24(21)62-42-36(55)33(52)31(50)27(14-44)64-42/h3-13,16,27-28,31-39,41-44,50-57H,14-15H2,1-2H3,(H3-,45,46,47,48,49) |
Phytochemical cluster | No. 15 |
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KCF-S cluster | No. 7 |
By standard InChI | |
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By standard InChI Main Layer |
By LinkDB |
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class name | count |
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asterids | 4 |
Liliopsida | 1 |
family name | count |
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Solanaceae | 4 |
Iridaceae | 1 |
KNApSAcK organism | *ID | *family | *plant class | *kingdom |
---|---|---|---|---|
Iris spp. | 26339 | Iridaceae | Liliopsida | Viridiplantae |
Lycopersicon esculentum | 4081 | Solanaceae | asterids | Viridiplantae |
Petunia x hybrida | 4102 | Solanaceae | asterids | Viridiplantae |
Solanum nigrum | 4112 | Solanaceae | asterids | Viridiplantae |
Solanum tuberosum | 4113 | Solanaceae | asterids | Viridiplantae |