input word = C00006707

Metabolite InformationStructural formula
Name Delhpinidin 3-neohesperidoside
Delhpinidin 3-(2rhamnosylglucoside)
Formula C27H31O16
Mw 611.16120995
CAS RN 120727-37-9
C_ID C00006707
InChIKey WUNLNTGITNYWSE-VHCYLTTBSA-O
InChICode InChI=1S/C27H30O16/c1-8-17(32)19(34)21(36)26(39-8)42-24-20(35)22(37)25(38-2)43-27(24)41-16-7-11-12(29)5-10(28)6-15(11)40-23(16)9-3-13(30)18(33)14(31)4-9/h3-8,17,19-22,24-27,32,34-37H,1-2H3,(H4-,28,29,30,31,33)/p+1/t8-,17-,19+,20-,21+,22-,24+,25+,26?,27+/m0/s1
SMILES OC1=CC2=C(C=C(O[C@H]3[C@H](OC4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H](OC)O3)C(C5=CC(O)=C(O)C(O)=C5)=[O+]2)C(O)=C1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePodocarpaceaePodocarpus lawrencii Ref.
PlantaePodocarpaceaePodocarpus nivalis Ref.
PlantaePodocarpaceaePodocarpus totara Ref.
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