input word = C00013927

Metabolite InformationStructural formula
Name Tamarixetin 3-neohesperidoside
Quercetin 4'-methyl ether 3-neohesperidoside
3-[[2-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl]oxy]-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-4H-1-benzopyran-4-one
Formula C28H32O16
Mw 624.16903498
CAS RN 261159-41-5
C_ID C00013927 ,
InChIKey HDBLGMREZKSBMK-CYTXDKDLNA-N
InChICode InChI=1S/C28H32O16/c1-9-18(33)21(36)23(38)27(40-9)44-26-22(37)19(34)16(8-29)42-28(26)43-25-20(35)17-13(32)6-11(30)7-15(17)41-24(25)10-3-4-14(39-2)12(31)5-10/h3-7,9,16,18-19,21-23,26-34,36-38H,8H2,1-2H3/t9-,16+,18+,19+,21+,22+,23+,26-,27+,28+/m1/s1
SMILES c1c(cc(c(c1)OC)O)c1oc2c(c(=O)c1O[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)CO)O)O)O[C@H]1[C@H]([C@H]([C@H]([C@H](O1)C)O)O)O)c(cc(c2)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCostaceaeCostus spicatus Ref.
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