input word = C00008801

Metabolite InformationStructural formula
Name Alatachalcone
Formula C60H48O15
Mw 1008.29932087
CAS RN 142451-50-1
C_ID C00008801 ,
InChIKey BGVKMLWXPHVRBN-IZZLOVTANA-N
InChICode InChI=1S/C60H48O15/c61-34-9-1-30(2-10-34)24-46-56(57(73)41-19-16-38(65)26-50(41)70)59(33-7-13-36(63)14-8-33)75-60(46)45-28-44(51(71)29-52(45)72)54-42-20-17-39(66)27-53(42)74-58(32-5-11-35(62)12-6-32)55(54)43-23-31(4-22-48(43)68)3-21-47(67)40-18-15-37(64)25-49(40)69/h1-23,25-29,46,54-56,58-66,68-72H,24H2/b21-3+/t46-,54-,55-,56-,58+,59+,60+/m0/s1
SMILES c1(cc2c(cc1)[C@H]([C@@H]([C@H](O2)c1ccc(cc1)O)c1cc(ccc1O)/C=C/C(=O)c1c(cc(cc1)O)O)c1cc(c(cc1O)O)[C@H]1O[C@@H]([C@@H]([C@@H]1Cc1ccc(cc1)O)C(=O)c1ccc(cc1O)O)c1ccc(cc1)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeOchnaceaeLophira alata Ref.
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