Name |
Petunidin 3-gentiobioside |
Formula |
C28H33O17 |
Mw |
641.17177463 |
CAS RN |
39814-18-1 |
C_ID |
C00006726
,
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InChIKey |
DBJVUXSMCARDEQ-UWPSSQLPNA-O |
InChICode |
InChI=1S/C28H32O17/c1-40-15-3-9(2-13(32)19(15)33)26-16(6-11-12(31)4-10(30)5-14(11)42-26)43-28-25(39)23(37)21(35)18(45-28)8-41-27-24(38)22(36)20(34)17(7-29)44-27/h2-6,17-18,20-25,27-29,34-39H,7-8H2,1H3,(H3-,30,31,32,33)/p+1/t17-,18+,20+,21+,22-,23+,24+,25+,27+,28+/m0/s1 |
SMILES |
O([C@H]1[C@@H]([C@H]([C@@H]([C@@H](O1)CO)O)O)O)C[C@H]1O[C@@H](Oc2cc3c(cc(cc3[o+]c2c2cc(c(c(c2)OC)O)O)O)O)[C@@H]([C@@H]([C@@H]1O)O)O |
Start Substs in Alk. Biosynthesis (Prediction) |
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Organism |
Kingdom |
Family |
Species |
Reference |
Plantae | Berberidaceae | Berberis buxifolia | Ref. |
Plantae | Berberidaceae | Berberis darwinii | Ref. |
Plantae | Myrtaceae | Eugenia jambolana | Ref. |
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zoom in
Organism | Berberis darwinii | Reference | Harborne, The Handbook of Natural Flavonoids, 2, (1999), 1,Anthocyanins
Pomilio,Phytochem.,12,(1973),218
Jain,Indian J.Chem.,13,(1975),20 |
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