input word = C00060381

Metabolite InformationStructural formula
Name cis-Isorhapontin
Formula C21H24O9
Mw 420.14203237
CAS RN 174592-17-7
C_ID C00060381
InChIKey KLPUXMNQDCUPNO-JGOUSXGWSA-N
InChICode InChI=1S/C21H24O9/c1-28-16-8-11(4-5-15(16)24)2-3-12-6-13(23)9-14(7-12)29-21-20(27)19(26)18(25)17(10-22)30-21/h2-9,17-27H,10H2,1H3/b3-2-/t17-,18-,19+,20-,21-/m1/s1
SMILES COc1cc(C=Cc2cc(O)cc(OC3OC(CO)C(O)C(O)C3O)c2)ccc1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePinaceaePicea abies Ref.
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