input word = C00012218

Metabolite InformationStructural formula
Name Ixerin G
Formula C29H34O11
Mw 558.21011193
CAS RN 93236-47-6
C_ID C00012218 ,
InChIKey HSJGWYWRALHJJB-PDFNKVAWNA-N
InChICode InChI=1S/C29H34O11/c1-16-21-10-7-18(13-30)3-2-4-19(11-22(21)38-28(16)36)15-37-29-27(26(35)25(34)23(14-31)39-29)40-24(33)12-17-5-8-20(32)9-6-17/h3,5-6,8-9,11,13,21-23,25-27,29,31-32,34-35H,1-2,4,7,10,12,14-15H2/b18-3+,19-11+/t21-,22-,23-,25+,26-,27+,29+/m0/s1
SMILES C=C1C(=O)O[C@@H]2/C=C(CO[C@@H]3OC(CO)[C@@H](O)[C@H](O)C3OC(=O)Cc3ccc(O)cc3)CC/C=C(/C=O)CC[C@@H]12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeIxeris tamagawaensis Ref.
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