input word = C00003354

Metabolite InformationStructural formula
Name Provincialin
Formula C27H34O10
Mw 518.21519731
CAS RN 40328-96-9
C_ID C00003354 ,
InChIKey RQCXPCGOVWKZCE-DIVWTXDONA-N
InChICode InChI=1S/C27H34O10/c1-6-19(13-29)26(32)34-14-20(9-10-28)27(33)37-22-11-15(2)7-8-21(35-18(5)30)16(3)12-23-24(22)17(4)25(31)36-23/h6-7,9,12,21-24,28-29H,4,8,10-11,13-14H2,1-3,5H3/b15-7+,16-12-,19-6+,20-9+/t21-,22+,23-,24+/m0/s1
SMILES C=C1C(=O)O[C@@H]2/C=C(/C)[C@@H](OC(C)=O)C/C=C(C)C[C@@H](OC(=O)/C(=C/CO)COC(=O)/C(=C/C)CO)[C@@H]12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeAgeratina anisochroma Ref.
PlantaeAsteraceaeLiatris provincialis Ref.
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