input word = C00004240

Metabolite InformationStructural formula
Name Pectolinarin
Formula C29H34O15
Mw 622.18977042
CAS RN 28978-02-1
C_ID C00004240 ,
InChIKey DUXQKCCELUKXOE-BATVZXCDNA-N
InChICode InChI=1S/C29H34O15/c1-11-20(31)23(34)25(36)28(41-11)40-10-18-21(32)24(35)26(37)29(44-18)43-17-9-16-19(22(33)27(17)39-3)14(30)8-15(42-16)12-4-6-13(38-2)7-5-12/h4-9,11,18,20-21,23-26,28-29,31-37H,10H2,1-3H3/t11-,18-,20-,21+,23-,24-,25+,26-,28+,29+/m0/s1
SMILES COc1ccc(-c2cc(=O)c3c(O)c(OC)c(O[C@@H]4OC(CO[C@@H]5OC(C)[C@H](O)[C@H](O)C5O)[C@@H](O)[C@H](O)C4O)cc3o2)cc1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeTeucridium parvifolium Ref.
PlantaePlantaginaceaeKickxia ramosissima Ref.
PlantaePlantaginaceaeLinaria vulgaris Ref.
PlantaeVerbenaceaeDuranta plumieri Ref.
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