input word = C00039212

Metabolite InformationStructural formula
Name Fibrauretinoside A
Formula C26H34O12
Mw 538.20502655
CAS RN 960506-33-6
C_ID C00039212 ,
InChIKey KTLOXVIRNBVBRP-MDZVBRCENA-N
InChICode InChI=1S/C26H34O12/c1-23-8-13(12-5-7-34-10-12)37-22(32)26(23,33)19(31)20-24(2)15(23)4-3-6-25(24,11-35-20)38-21-18(30)17(29)16(28)14(9-27)36-21/h3,5-7,10,13-21,27-31,33H,4,8-9,11H2,1-2H3/t13-,14-,15+,16-,17+,18-,19+,20-,21+,23+,24+,25+,26+/m1/s1
SMILES C1[C@@]2([C@@](C(=O)O[C@H]1c1cocc1)([C@H]([C@@H]1[C@@]3([C@H]2CC=C[C@@]3(CO1)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)C)O)O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMenispermaceaeFibraurea tinctoria Ref.
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OrganismFibraurea tinctoria
ReferenceSu,J.Nat.Prod.,70,(2007),1930