input word = C00013627

Metabolite InformationStructural formula
Name Acacetin 7-(2G-rhamnosyl)-rutinoside
Apigenin 4'-methyl ether 7-(2G-rhamnosyl)-rutinoside
Neobudofficide
7-[(O-6-deoxy-alpha-L-mannopyranosyl-(1->2)-O-[6-deoxy-alpha-L-mannopyranosyl-(1->6)]-beta-D-glucopyranosyl]oxy)-5-hydroxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one
Formula C34H42O18
Mw 738.23711454
CAS RN 194602-91-0
C_ID C00013627 ,
InChIKey XQQFUXJSLVWQSS-VKMLBANYNA-N
InChICode InChI=1S/C34H42O18/c1-12-23(37)26(40)29(43)32(47-12)46-11-21-25(39)28(42)31(52-33-30(44)27(41)24(38)13(2)48-33)34(51-21)49-16-8-17(35)22-18(36)10-19(50-20(22)9-16)14-4-6-15(45-3)7-5-14/h4-10,12-13,21,23-35,37-44H,11H2,1-3H3/t12-,13-,21+,23-,24-,25+,26+,27+,28-,29-,30-,31-,32+,33-,34+/m0/s1
SMILES COc1ccc(-c2cc(=O)c3c(O)cc(O[C@@H]4OC(CO[C@@H]5OC(C)[C@H](O)C(O)[C@@H]5O)[C@@H](O)[C@H](O)C4O[C@@H]4OC(C)[C@H](O)C(O)[C@@H]4O)cc3o2)cc1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeBuddlejaceaeBuddleia officinalis Ref.
PlantaeBuddlejaceaeBuddleja officinalis Ref.
PlantaeValerianaceae/Linnaeaceae/Dipsacaceae/DiervillaceaeValeriana hardwickii Ref.
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