input word = C00007908

Metabolite InformationStructural formula
Name Okanin 4-methyl ether 4'-primveroside
Formula C27H32O15
Mw 596.17412036
CAS RN 146257-94-5
C_ID C00007908 ,
InChIKey PGUVLBHFVSDWEY-FFPKYLOQNA-N
InChICode InChI=1S/C27H32O15/c1-38-16-6-3-11(8-14(16)29)2-5-13(28)12-4-7-17(21(33)19(12)31)41-27-25(37)23(35)22(34)18(42-27)10-40-26-24(36)20(32)15(30)9-39-26/h2-8,15,18,20,22-27,29-37H,9-10H2,1H3/b5-2+/t15-,18-,20+,22+,23-,24-,25+,26+,27+/m0/s1
SMILES c1(c(c(c(cc1)C(=O)/C=C/c1cc(c(cc1)OC)O)O)O)O[C@@H]1O[C@H]([C@H]([C@@H]([C@H]1O)O)O)CO[C@@H]1[C@H]([C@@H]([C@H](CO1)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeBidens campylotheca Ref.
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