input word = C00006478

Metabolite InformationStructural formula
Name Abiesin
Formula C33H24O10
Mw 580.13694699
CAS RN 90850-93-4
C_ID C00006478 ,
InChIKey VRBHCPVTDBCDME-UHFFFAOYSA-N
InChICode InChI=1S/C33H24O10/c1-39-18-7-4-16(5-8-18)33-32(38)31(37)22-13-20(23(34)14-28(22)43-33)21-10-17(6-9-26(21)41-3)27-15-25(36)30-24(35)11-19(40-2)12-29(30)42-27/h4-15,34-35,38H,1-3H3
SMILES c1c(c(ccc1c1oc2c(c(=O)c1)c(cc(c2)OC)O)OC)c1cc2c(cc1O)oc(c(c2=O)O)c1ccc(cc1)OC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePinaceaeAbies webbiana Ref.
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