input word = C00061813

Metabolite InformationStructural formula
Name 4',4''-Dihydroxyanigorootin
Formula C38H22O8
Mw 606.13146768
CAS RN 448949-11-9
C_ID C00061813
InChIKey MQHLUOTXEDJGPU-HVYOWVPISA-N
InChICode InChI=1S/C38H22O8/c39-21-9-1-17(2-10-21)23-13-5-19-7-15-25-31-27(19)29(23)35(41)37(43)33(31)34-32-26(45-37)16-8-20-6-14-24(18-3-11-22(40)12-4-18)30(28(20)32)36(42)38(34,44)46-25/h1-16,33-34,39-40,43-44H;InChI=1S/C38H22O8/c39-21-9-1-17(2-10-21)23-13-5-19-7-15-25-31-27(19)29(23)35(41)37(43)33(31)34-32-26(45-37)16-8-20-6-14-24(18-3-11-22(40)12-4-18)30(28(20)32)36(42)38(34,44)46-25/h1-16,33-34,39-40,43-44H/t33-,34-,37+,38+/m1/s1;InChI=1S/C38H22O8/c39-21-9-1-17(2-10-21)23-13-5-19-7-15-25-31-27(19)29(23)35(41)37(43)33(31)34-32-26(45-37)16-8-20-6-14-24(18-3-11-22(40)12-4-18)30(28(20)32)36(42)38(34,44)46-25/h1-16,33-34,39-40,43-44H/t33-,34+,37-,38-/m1/s1;InChI=1S/C38H22O8/c39-21-9-1-17(2-10-21)23-13-5-19-7-15-25-31-27(19)29(23)35(41)37(43)33(31)34-32-26(45-37)16-8-20-6-14-24(18-3-11-22(40)12-4-18)30(28(20)32)36(42)38(34,44)46-25/h1-16,33-34,39-40,43-44H/t33-,34-,37+,38+/m0/s1
SMILES O=C1c2c(-c3ccc(O)cc3)ccc3ccc4c(c23)C2C3c5c(ccc6ccc(-c7ccc(O)cc7)c(c56)C(=O)C3(O)O4)OC12O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMusaceaeMusa acuminata Ref.
zoom in