input word = C00050328

Metabolite InformationStructural formula
Name Alboctalol
Formula C28H24O8
Mw 488.14711774
CAS RN 62394-00-7
C_ID C00050328 ,
InChIKey QQGGCAFWTCETPD-RUQTWMSJNA-N
InChICode InChI=1S/C28H24O8/c29-15-1-3-20(23(34)10-15)22-8-14-7-19(33)12-25(36)27(14)28(21-4-2-16(30)11-24(21)35)26(22)13-5-17(31)9-18(32)6-13/h1-7,9-12,22,26,28-36H,8H2/t22-,26+,28+/m1/s1
SMILES [C@@H]1([C@H](Cc2c([C@H]1c1ccc(cc1O)O)c(cc(c2)O)O)c1ccc(cc1O)O)c1cc(cc(c1)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMoraceaeMorus alba Ref.
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