input word = C00058736

Metabolite InformationStructural formula
Name Stenophyllol A
Formula C56H40O12
Mw 904.25197674
CAS RN 208834-75-7
C_ID C00058736
InChIKey YHCLTZGAGCGGQE-MTSSHPIASA-N
InChICode InChI=1S/C56H40O12/c57-29-9-1-25(2-10-29)45-47-37(17-33(61)21-41(47)65)53-49-39(19-35(63)23-43(49)67-55(53)27-5-13-31(59)14-6-27)51(45)52-40-20-36(64)24-44-50(40)54(56(68-44)28-7-15-32(60)16-8-28)38-18-34(62)22-42(66)48(38)46(52)26-3-11-30(58)12-4-26/h1-24,45,51-57,59-66H/t45-,51-,52-,53-,54-,55+,56+/m1/s1
SMILES O=C1C=CC(=C2c3c(O)cc(O)cc3[C@@H]3c4c(cc(O)cc4[C@H]2[C@@H]2c4cc(O)cc5c4[C@@H](c4cc(O)cc(O)c4[C@H]2c2ccc(O)cc2)[C@H](c2ccc(O)cc2)O5)O[C@H]3c2ccc(O)cc2)C=C1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeSophora stenophylla Ref.
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