input word = C00006661

Metabolite InformationStructural formula
Name Cyanidin 3-neohesperidoside
Cyanidin 3-(2-rhamnosylglucoside)
Formula C27H31O15
Mw 595.16629532
CAS RN 54947-80-7
C_ID C00006661 ,
InChIKey MODDEUXQZZTKNN-OQRKVKFYNA-O
InChICode InChI=1S/C27H30O15/c1-9-19(33)21(35)23(37)26(38-9)42-25-22(36)20(34)18(8-28)41-27(25)40-17-7-12-14(31)5-11(29)6-16(12)39-24(17)10-2-3-13(30)15(32)4-10/h2-7,9,18-23,25-28,33-37H,8H2,1H3,(H3-,29,30,31,32)/p+1/t9-,18-,19-,20+,21+,22-,23-,25+,26-,27+/m0/s1
SMILES CC1O[C@@H](OC2C(O)[C@H](O)C(CO)O[C@H]2Oc2cc3c(O)cc(O)cc3[o+]c2-c2ccc(O)c(O)c2)[C@@H](O)C(O)[C@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePodocarpaceaePodocarpus lawrencii Ref.
PlantaePodocarpaceaePodocarpus nivalis Ref.
PlantaePodocarpaceaePodocarpus totara Ref.
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OrganismPodocarpus totara
ReferenceHarborne, The Handbook of Natural Flavonoids, 2, (1999),1,Anthocyanins

Crowden,Phytochem.,13,(1974),2877

Andersen,Phytochem.,28,(1989),495