input word = C00040619

Metabolite InformationStructural formula
Name Valtrate hydrine B7
Formula C27H38O10
Mw 522.24649744
CAS RN 98260-47-0
C_ID C00040619 ,
InChIKey HCGUNEDCTVLVNP-NAKUBVJTNA-N
InChICode InChI=1S/C27H38O10/c1-15(2)8-22(29)35-14-27(32)21(36-23(30)9-16(3)4)11-20-19(12-33-18(7)28)13-34-26(25(20)27)37-24(31)10-17(5)6/h10-11,13,15-16,21,25-26,32H,8-9,12,14H2,1-7H3/t21-,25+,26-,27+/m0/s1
SMILES C1=C(C2=C[C@@H]([C@@]([C@H]2[C@@H](O1)OC(=O)C=C(C)C)(COC(=O)CC(C)C)O)OC(=O)CC(C)C)COC(=O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeValerianaceae/Linnaeaceae/Dipsacaceae/DiervillaceaeValeriana sorbifolia Ref.
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