input word = C00042343

Metabolite InformationStructural formula
Name Caseargrewiin B
(+)-Caseargrewiin B
Formula C37H46O11
Mw 666.30401231
CAS RN 847841-93-4
C_ID C00042343 ,
InChIKey DVWYIRXXTSVCNI-FWRZBRFXNA-N
InChICode InChI=1S/C37H46O11/c1-8-10-30(41)46-27-19-28-34(44-23(5)38)48-35(45-24(6)39)37(28)29(20-27)36(7,18-17-21(3)9-2)22(4)32(33(37)43)47-31(42)16-13-25-11-14-26(40)15-12-25/h9,11-16,19,22,27,29,32-35,40,43H,2-3,8,10,17-18,20H2,1,4-7H3/b16-13+/t22-,27+,29+,32-,33+,34+,35-,36+,37-/m1/s1
SMILES [C@H]1([C@H]([C@@]([C@H]2[C@@]3([C@H]1O)C(=C[C@@H](C2)OC(=O)CCC)[C@H](O[C@H]3OC(=O)C)OC(=O)C)(CCC(=C)C=C)C)C)OC(=O)/C=C/c1ccc(cc1)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSamydaceaeCasearia grewiifolia Ref.
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OrganismCasearia grewiifolia
ReferenceKanokmedhakul,J.Nat.Prod.,68,(2005),183