input word = C00042189

Metabolite InformationStructural formula
Name Achyrodimer B
Formula C34H34O13
Mw 650.19994117
CAS RN 851345-25-0
C_ID C00042189 ,
InChIKey VIGTUGDPCRCLDT-UHFFFAOYNA-N
InChICode InChI=1S/C34H34O13/c1-42-20-11-22(45-25(37)13-20)29-27(16-3-7-18(36)8-4-16)30(23-12-21(43-2)14-26(38)46-23)28(29)17-5-9-19(10-6-17)44-34-33(41)32(40)31(39)24(15-35)47-34/h3-14,24,27-36,39-41H,15H2,1-2H3/t24-,27-,28+,29-,30+,31-,32+,33+,34+/m1/s1
SMILES COc1cc(C2C(c3ccc(O)cc3)C(c3cc(OC)cc(=O)o3)C2c2ccc(OC3OC(CO)C(O)C(O)C3O)cc2)oc(=O)c1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeAchyrocline bogotensis (HBK.) DC. Ref.
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