input word = C00057725

Metabolite InformationStructural formula
Name Natsudaidain 3-glucoside
Formula C27H32O14
Mw 580.17920573
CAS RN 98891-93-1
C_ID C00057725
InChIKey MSTIUVOQDAVXIA-SHNDPLGISA-N
InChICode InChI=1S/C27H32O14/c1-33-12-8-7-11(9-13(12)34-2)20-23(41-27-19(32)18(31)16(29)14(10-28)39-27)17(30)15-21(35-3)24(36-4)26(38-6)25(37-5)22(15)40-20/h7-9,14,16,18-19,27-29,31-32H,10H2,1-6H3/t14-,16-,18+,19-,27+/m1/s1
SMILES COC1=CC=C(C(OC2=C3C(OC)=C(OC)C(OC)=C2OC)=C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C3=O)C=C1OC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRutaceaeCitrus spp. Ref.
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