input word = C00048718

Metabolite InformationStructural formula
Name Glabraoside B
(-)-Glabraoside B
Formula C30H30O13
Mw 598.16864105
CAS RN 956706-99-3
C_ID C00048718 ,
InChIKey OKKMHZTVGJIQAP-CXNPOOFXNA-N
InChICode InChI=1S/C30H30O13/c1-11-25(37)26(38)27(39)30(40-11)42-22-8-15-18(33)10-21-24(29(15)43-28(22)13-3-5-17(32)20(35)7-13)14(9-23(36)41-21)12-2-4-16(31)19(34)6-12/h2-7,10-11,14,22,25-28,30-35,37-39H,8-9H2,1H3/t11-,14-,22+,25-,26+,27+,28+,30-/m0/s1
SMILES c12c(cc(c3c1O[C@@H]([C@@H](C3)O[C@@H]1O[C@H]([C@@H]([C@H]([C@H]1O)O)O)C)c1cc(c(cc1)O)O)O)OC(=O)C[C@H]2c1ccc(c(c1)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRhizophoraceaeRhizophora stylosa Ref.
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