input word = C00045736

Metabolite InformationStructural formula
Name Caudatoside B
(-)-Caudatoside B
Formula C26H32O12
Mw 536.18937649
CAS RN 477343-52-5
C_ID C00045736 ,
InChIKey KWXCZSMMAKGXBP-VPWCFMKLNA-N
InChICode InChI=1S/C26H32O12/c1-12-17-18(20(30)23(12)37-16(28)9-8-13-6-4-3-5-7-13)14(24(33)34-2)11-35-25(17)38-26-22(32)21(31)19(29)15(10-27)36-26/h3-9,11-12,15,17-23,25-27,29-32H,10H2,1-2H3/b9-8+/t12-,15+,17+,18+,19+,20-,21-,22+,23+,25-,26-/m0/s1
SMILES COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2[C@H](C)[C@@H](OC(=O)/C=C/c3ccccc3)[C@@H](O)[C@H]12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeVerbenaceaeCitharexylum caudatum Ref.
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OrganismCitharexylum caudatum
ReferenceAyers,J.Nat.Prod.,65,(2002),1621