input word = C00038658

Metabolite InformationStructural formula
Name Buddlenol A
Formula C31H34O11
Mw 582.21011193
CAS RN 97399-78-5
C_ID C00038658 ,
InChIKey UYNCCRHOWNHDMT-AATRIKPKNA-N
InChICode InChI=1S/C31H34O11/c1-37-23-12-18(7-8-22(23)35)28(36)27(16-34)41-31-25(39-3)13-19(14-26(31)40-4)29-21(15-33)20-10-17(6-5-9-32)11-24(38-2)30(20)42-29/h5-14,21,27-29,33-36H,15-16H2,1-4H3/b6-5+/t21-,27+,28-,29-/m1/s1
SMILES COc1cc(C(O)C(CO)Oc2c(OC)cc(C3Oc4c(OC)cc(/C=C/C=O)cc4C3CO)cc2OC)ccc1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRubiaceaeTarenna attenuata Ref.
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