input word = C00003264

Metabolite InformationStructural formula
Name Eupachlorin acetate
Formula C22H27ClO8
Mw 454.13944555
CAS RN 20501-52-4
C_ID C00003264 ,
InChIKey WVTMFOWXYVFVDE-FURFOAEHNA-N
InChICode InChI=1S/C22H27ClO8/c1-6-10(2)19(25)30-15-8-21(27,9-23)17-14(29-13(5)24)7-11(3)22(17,28)18-16(15)12(4)20(26)31-18/h6-7,14-18,27-28H,4,8-9H2,1-3,5H3/b10-6-/t14-,15+,16+,17-,18-,21-,22+/m0/s1
SMILES [C@@H]12[C@@]([C@@H]3[C@@H]([C@@H](C[C@]1(O)CCl)OC(=O)/C(=C\C)/C)C(=C)C(=O)O3)(C(=C[C@@H]2OC(=O)C)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeEupatorium rotundifolium Ref.
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OrganismEupatorium rotundifolium
ReferenceHarborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter51