input word = C00006218

Metabolite InformationStructural formula
Name Abietin
Vitexin 6''-O-rhamnoside
Formula C27H30O14
Mw 578.16355567
CAS RN 54302-43-1
C_ID C00006218 ,
InChIKey QALDGQNNUSKYRM-WKMPGBIINA-N
InChICode InChI=1S/C27H30O14/c1-9-19(32)21(34)24(37)27(39-9)38-8-16-20(33)22(35)23(36)26(41-16)18-13(30)6-12(29)17-14(31)7-15(40-25(17)18)10-2-4-11(28)5-3-10/h2-7,9,16,19-24,26-30,32-37H,8H2,1H3/t9-,16-,19-,20+,21-,22-,23+,24-,26-,27+/m0/s1
SMILES c1(cc(c2c(c1[C@@H]1O[C@H]([C@H]([C@@H]([C@H]1O)O)O)CO[C@H]1[C@H]([C@H]([C@H]([C@@H](O1)C)O)O)O)oc(cc2=O)c1ccc(cc1)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeScorzonera hispanica Ref.
PlantaePinaceaeAbies spp. Ref.
PlantaePinaceaeLarix sibirica Ref.
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OrganismScorzonera hispanica
ReferenceAldrich Library of FT-IR Spectra, 1st edn.,1985, 1, 1124B (ir