input word = C00000624

Metabolite InformationStructural formula
Name (-)-Brainic acid
Formula C25H22O12
Mw 514.11112617
CAS RN 146713-96-4
C_ID C00000624 ,
InChIKey IJAGKEKOJGWANE-DIDWRPMFNA-N
InChICode InChI=1S/C25H22O12/c26-13-4-2-11(7-15(13)28)22-20(19-10(3-6-18(30)31)1-5-14(27)23(19)37-22)25(35)36-17-9-12(24(33)34)8-16(29)21(17)32/h1-8,16-17,20-22,26-29,32H,9H2,(H,30,31)(H,33,34)/b6-3+/t16-,17-,20-,21-,22-/m1/s1
SMILES O=C(O)/C=C/c1ccc(O)c2c1[C@@H](C(=O)O[C@@H]1CC(C(=O)O)=C[C@@H](O)[C@H]1O)[C@@H](c1ccc(O)c(O)c1)O2
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeBlechnaceaeBrainea insignis Ref.
PlantaeBlechnaceaeWoodwardia orientalis Ref.
PlantaeBlechnaceaeWoodwardia prolifera Ref.
--Struthiopteris amabilis Ref.
--Struthiopteris niponica Ref.
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