input word = C00005042

Metabolite InformationStructural formula
Name 6-C-Methyl-(+)-androyol
Formula C31H24O11
Mw 572.13186161
CAS RN 138256-87-8
C_ID C00005042 ,
InChIKey DXWYAIBEHUCFNX-FJNWXMSVNA-N
InChICode InChI=1S/C31H24O11/c1-12-19(35)11-21-23(25(12)37)27(39)31(40-2)29(41-21)18-10-20(36)30-24(26(18)38)22(13-3-5-15(32)6-4-13)28(42-30)14-7-16(33)9-17(34)8-14/h3-11,22,28,32-38H,1-2H3/t22-,28+/m0/s1
SMILES c1(c(c(c2c(c1)oc(c(c2=O)OC)c1cc(c2c(c1O)[C@@H]([C@H](O2)c1cc(cc(c1)O)O)c1ccc(cc1)O)O)O)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeDidiereaceaeAlluaudia dumosa Ref.
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