input word = C00005126

Metabolite InformationStructural formula
Name Cannabin
Formula C28H32O14
Mw 592.17920573
CAS RN 26260-14-0
C_ID C00005126 ,
InChIKey PQRFZVPEJNZXRT-XVGRRMDZNA-N
InChICode InChI=1S/C28H32O14/c1-11-18(30)21(33)23(35)27(39-11)38-10-16-19(31)22(34)24(36)28(41-16)42-26-20(32)17-14(29)8-13(37-2)9-15(17)40-25(26)12-6-4-3-5-7-12/h3-9,11,16,18-19,21-24,27-31,33-36H,10H2,1-2H3/t11-,16-,18+,19+,21+,22+,23+,24-,27-,28+/m1/s1
SMILES c1(cc(c2c(c1)oc(c(c2=O)O[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO[C@H]1[C@H]([C@H]([C@H]([C@H](O1)C)O)O)O)O)O)O)c1ccccc1)O)OC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeDatiscaceaeDatisca cannabina Ref.
zoom in