input word = C00006593

Metabolite InformationStructural formula
Name Aulacomniumtriluteolin
Formula C45H26O18
Mw 854.11191403
CAS RN 169238-35-1
C_ID C00006593 ,
InChIKey BQGQFLPFTCDLPF-UHFFFAOYSA-N
InChICode InChI=1S/C45H26O18/c46-18-8-23(49)39-27(53)11-33(62-35(39)9-18)16-4-20(43(59)31(57)6-16)38-24(50)10-25(51)40-28(54)12-34(63-45(38)40)17-3-19(42(58)30(56)7-17)37-26(52)14-36-41(44(37)60)29(55)13-32(61-36)15-1-2-21(47)22(48)5-15/h1-14,46-52,56-60H
SMILES O=c1cc(-c2cc(O)c(O)c(-c3c(O)cc(O)c4c(=O)cc(-c5cc(O)c(O)c(-c6c(O)cc7oc(-c8ccc(O)c(O)c8)cc(=O)c7c6O)c5)oc34)c2)oc2cc(O)cc(O)c12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAulacomniaceaeAulacomnium palustre Ref.
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