input word = C00035136

Metabolite InformationStructural formula
Name Neohelmanthicin C
Formula C27H38O10
Mw 522.24649744
CAS RN 918784-99-3
C_ID C00035136 ,
InChIKey CIKCPLCXGQIZCS-SYNRSKBCNA-N
InChICode InChI=1S/C27H38O10/c1-8-10-11-12-22(28)36-18(5)27(6,31)26(30)35-17(4)23(37-25(29)16(3)9-2)19-13-20(32-7)24-21(14-19)33-15-34-24/h9,13-14,17-18,23,31H,8,10-12,15H2,1-7H3/b16-9-/t17-,18-,23-,27+/m0/s1
SMILES C/C=C(/C)C(=O)O[C@H](c1cc(OC)c2c(c1)OCO2)[C@H](C)OC(=O)[C@](C)(O)[C@H](C)OC(=O)CCCCC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApiaceaeThapsia garganica Ref.
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OrganismThapsia garganica
ReferenceLiu,Phytochem.,67,(2006),2651