input word = C00006666

Metabolite InformationStructural formula
Name Seranin
Formula C27H31O16
Mw 611.16120995
CAS RN 64963-53-7
C_ID C00006666 ,
InChIKey ULXBEUBSYSSVTP-ARDLSURDNA-O
InChICode InChI=1S/C27H30O16/c28-7-17-19(33)21(35)23(37)26(42-17)39-10-4-13(31)11-6-16(41-27-24(38)22(36)20(34)18(8-29)43-27)25(40-15(11)5-10)9-1-2-12(30)14(32)3-9/h1-6,17-24,26-29,33-38H,7-8H2,(H2-,30,31,32)/p+1/t17-,18-,19-,20-,21+,22-,23-,24+,26-,27-/m1/s1
SMILES c1(cc(c2c(c1)[o+]c(c(c2)O[C@H]1[C@H]([C@@H]([C@@H]([C@H](O1)CO)O)O)O)c1ccc(c(c1)O)O)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMalvaceaeAlthaea rosea Ref.
PlantaeOrchidaceaeAnacamptis pyramidalis Ref.
PlantaeOrchidaceaeBarlia spp. Ref.
PlantaeOrchidaceaeCephalanthera rubra Ref.
PlantaeOrchidaceaeDactylorhiza spp. Ref.
PlantaeOrchidaceaeGymnadenia spp. Ref.
PlantaeOrchidaceaeLimodorum abortivum Ref.
PlantaeOrchidaceaeOphrys spp. Ref.
PlantaeOrchidaceaeOrchis spp. Ref.
PlantaeSolanaceaePetunia x hybrida Ref.
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