input word = C00014544

Metabolite InformationStructural formula
Name Azobechalcone
Formula C90H70O22
Mw 1502.43587392
CAS RN 235426-08-1
C_ID C00014544 ,
InChIKey AEKWITXEVIHECI-UUSSJSBDNA-N
InChICode InChI=1S/C90H70O22/c91-50-13-1-44(2-14-50)35-68-85(86(109)61-28-24-57(98)39-74(61)104)89(49-11-19-53(94)20-12-49)112-90(68)65-41-64(77(107)43-78(65)108)82(84-67-34-46(4-30-70(100)59-26-22-55(96)37-72(59)102)6-32-80(67)111-88(84)48-9-17-52(93)18-10-48)63-40-62(75(105)42-76(63)106)81(60-27-23-56(97)38-73(60)103)83-66-33-45(3-29-69(99)58-25-21-54(95)36-71(58)101)5-31-79(66)110-87(83)47-7-15-51(92)16-8-47/h1-34,36-43,68,81-85,87-98,101-108H,35H2/b29-3+,30-4+/t68-,81+,82-,83-,84-,85+,87+,88+,89-,90+/m1/s1
SMILES c1(cc(c(cc1)C(=O)/C=C/c1cc2c(cc1)O[C@H]([C@H]2[C@@H](c1c(cc(cc1)O)O)c1c(cc(c(c1)[C@H](c1c(cc(c(c1)[C@@H]1O[C@@H]([C@@H]([C@H]1Cc1ccc(cc1)O)C(=O)c1ccc(cc1O)O)c1ccc(cc1)O)O)O)[C@@H]1[C@@H](Oc2c1cc(cc2)/C=C/C(=O)c1ccc(cc1O)O)c1ccc(cc1)O)O)O)c1ccc(cc1)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeOchnaceaeLophira alata Ref.
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