input word = C00006693

Metabolite InformationStructural formula
Name Rosinin
Formula C29H35O16
Mw 639.19251007
CAS RN 20016-74-4
C_ID C00006693 ,
InChIKey ILGWGUVHTRBYJV-SFYWUSEQNA-O
InChICode InChI=1S/C29H34O16/c1-39-12-6-15-13(16(7-12)42-28-25(37)23(35)21(33)19(9-30)44-28)8-18(27(41-15)11-3-4-14(32)17(5-11)40-2)43-29-26(38)24(36)22(34)20(10-31)45-29/h3-8,19-26,28-31,33-38H,9-10H2,1-2H3/p+1/t19-,20+,21+,22+,23-,24-,25+,26+,28+,29+/m0/s1
SMILES c1(cc(c2c(c1)[o+]c(c(c2)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)c1ccc(c(c1)OC)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@@H](O1)CO)O)O)O)OC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePrimulaceaePrimula clarkei Ref.
PlantaePrimulaceaePrimula rosea Ref.
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