input word = C00000676

Metabolite InformationStructural formula
Name Pseudotsuganol
Formula C35H32O13
Mw 660.18429111
CAS RN 120015-18-1
C_ID C00000676 ,
InChIKey TXOKTGDAECRVPW-ZTYCZTHPNA-N
InChICode InChI=1S/C35H32O13/c1-44-25-8-14(3-4-22(25)37)33-20-12-47-34(21(20)13-46-33)16-6-19(30(41)27(9-16)45-2)18-5-15(7-24(39)29(18)40)35-32(43)31(42)28-23(38)10-17(36)11-26(28)48-35/h3-11,20-21,32-41,43H,12-13H2,1-2H3/t20-,21-,32-,33+,34+,35+/m0/s1
SMILES COc1cc([C@H]2OC[C@H]3[C@@H]2CO[C@@H]3c2cc(OC)c(O)c(-c3cc([C@H]4Oc5cc(O)cc(O)c5C(=O)[C@@H]4O)cc(O)c3O)c2)ccc1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePinaceaePseudotsuga menziesii Ref.
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