input word = C00010101

Metabolite InformationStructural formula
Name Cladrastin 7-O-laminaribioside
Formula C30H36O16
Mw 652.20033511
CAS RN 68862-15-7
C_ID C00010101 ,
InChIKey XXSWXJGGMRMITA-VXJAKBBFNA-N
InChICode InChI=1S/C30H36O16/c1-39-15-5-4-12(6-17(15)40-2)14-11-42-16-8-19(18(41-3)7-13(16)22(14)33)43-30-27(38)28(24(35)21(10-32)45-30)46-29-26(37)25(36)23(34)20(9-31)44-29/h4-8,11,20-21,23-32,34-38H,9-10H2,1-3H3/t20-,21+,23+,24+,25-,26+,27+,28-,29-,30+/m0/s1
SMILES COc1ccc(-c2coc3cc(O[C@@H]4OC(CO)[C@@H](O)[C@H](O[C@@H]5OC(CO)[C@@H](O)[C@H](O)C5O)C4O)c(OC)cc3c2=O)cc1OC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeCladrastis spp. Ref.
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