input word = C00011840

Metabolite InformationStructural formula
Name Douglasin
Formula C20H24O7
Mw 376.15220312
CAS RN 102867-73-2
C_ID C00011840 ,
InChIKey HEXYOSGOEISRRL-UPEITUKWNA-N
InChICode InChI=1S/C20H24O7/c1-5-11(3)19(24)27-17-15-12(4)20(25)26-14(15)9-10(2)7-6-8-13(16(17)21)18(22)23/h5,8-9,14-17,21H,4,6-7H2,1-3H3,(H,22,23)/b10-9-,11-5-,13-8+/t14-,15+,16+,17+/m1/s1
SMILES C1/C=C(\[C@@H]([C@H]([C@@H]2[C@@H](/C=C(\C1)/C)OC(=O)C2=C)OC(=O)/C(=C\C)/C)O)/C(=O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeChaenactis douglasii Ref.
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OrganismChaenactis douglasii
ReferenceStierle,Phytochem.,25,(1986),743