input word = C00000681

Metabolite InformationStructural formula
Name Haedoxan A
Formula C33H34O14
Mw 654.1948558
CAS RN 123619-26-1
C_ID C00000681 ,
InChIKey SVQIUEXUTJVJTM-UBUOSFEXNA-N
InChICode InChI=1S/C33H34O14/c1-35-12-26-27(16-5-6-19-21(7-16)42-14-41-19)46-23-9-20(36-2)17(8-22(23)45-26)28-18-11-39-32(33(18,34)13-40-28)47-30-24(37-3)10-25-29(31(30)38-4)44-15-43-25/h5-10,18,26-28,32,34H,11-15H2,1-4H3/t18-,26-,27-,28-,32-,33-/m1/s1
SMILES c1(c2c(cc(c1O[C@H]1OC[C@H]3[C@@]1(CO[C@@H]3c1cc3c(cc1OC)O[C@@H]([C@H](O3)COC)c1cc3c(cc1)OCO3)O)OC)OCO2)OC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePhrymaceaePhryma leptostachya Ref.
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