input word = C00012413

Metabolite InformationStructural formula
Name 8beta-Tigloyloxy-2,3-seco-4Z,11(13)-heliangadiene-3,10beta:6,12-diolid-2-oic acid
Formula C20H24O8
Mw 392.14711774
CAS RN 73971-74-1
C_ID C00012413 ,
InChIKey YXXWAANBHORCBY-JDWFTSFUNA-N
InChICode InChI=1S/C20H24O8/c1-6-10(2)17(23)27-14-8-20(5,9-15(21)22)28-18(24)11(3)7-13-16(14)12(4)19(25)26-13/h6-7,13-14,16H,4,8-9H2,1-3,5H3,(H,21,22)/b10-6+,11-7+/t13-,14+,16-,20+/m0/s1
SMILES C1(=O)O[C@](C[C@H]([C@@H]2[C@H](/C=C/1\C)OC(=O)C2=C)OC(=O)/C(=C/C)/C)(CC(=O)O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeEupatorium lindleyanum Ref.
PlantaeAsteraceaePicradeniopsis woodhousei Ref.
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