input word = C00008061

Metabolite InformationStructural formula
Name Subulin
Formula C28H32O16
Mw 624.16903498
CAS RN 66274-45-1
C_ID C00008061 ,
InChIKey VNQWBHCOIDFEBH-PRDMOSRHNA-N
InChICode InChI=1S/C28H32O16/c1-9-19(32)22(35)24(37)27(40-9)44-26-17(8-29)43-28(25(38)23(26)36)41-11-6-14(39-2)18-15(7-11)42-16(21(18)34)5-10-3-12(30)20(33)13(31)4-10/h3-7,9,17,19,22-33,35-38H,8H2,1-2H3/b16-5-/t9-,17-,19+,22+,23-,24-,25-,26-,27+,28-/m1/s1
SMILES c12c(cc(cc1OC)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)C)O)O)O)O)O)O/C(=C\c1cc(c(c(c1)O)O)O)/C2=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeZingiberaceaeAmomum subulatum Ref.
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