input word = C00039130

Metabolite InformationStructural formula
Name epi-Fibrauretinoside A
(+)-epi-Fibrauretinoside A
Formula C26H34O12
Mw 538.20502655
CAS RN 960506-34-7
C_ID C00039130 ,
InChIKey KTLOXVIRNBVBRP-LGGRTNRZNA-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-/m0/s1
SMILES C1=C[C@@]2([C@]3([C@@H](C1)[C@]1([C@]([C@H]([C@H]3OC2)O)(C(=O)O[C@@H](C1)c1cocc1)O)C)C)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMenispermaceaeFibraurea tinctoria Ref.
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