input word = C00042100

Metabolite InformationStructural formula
Name 3',4',4a',9a'-Tetrahydro-6,7'-dimethylspiro[benzofuran-3(2H),2'-pyrano[2,3-b]benzofuran]-2,4a',diol
Formula C20H20O5
Mw 340.13107375
CAS RN 223680-32-8
C_ID C00042100 ,
InChIKey YMKQULZUUJUBPP-GMSXMFRFNA-N
InChICode InChI=1S/C20H20O5/c1-11-3-5-13-15(9-11)24-18-19(13,22)7-8-20(25-18)14-6-4-12(2)10-16(14)23-17(20)21/h3-6,9-10,17-18,21-22H,7-8H2,1-2H3/t17-,18-,19+,20-/m0/s1
SMILES [C@@]12([C@H](O[C@]3(CC1)[C@H](Oc1c3ccc(c1)C)O)Oc1c2ccc(c1)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeHofmeisteria schaffneri Ref.
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OrganismHofmeisteria schaffneri
ReferencePerez-Vasquez,J.Nat.Prod.,68,(2005),959