input word = C00031238

Metabolite InformationStructural formula
Name Rubianol e
Formula C34H54O7
Mw 574.38695408
CAS RN 551930-38-2
C_ID C00031238 ,
InChIKey OLOLVKCRAVUVOL-IPJJWRMFNA-N
InChICode InChI=1S/C34H54O7/c1-18(2)22-14-24(38)28-33(9)11-10-21-27(32(33,8)12-13-34(22,28)17-40-19(3)35)23(37)15-26-30(5,6)29(39)25(41-20(4)36)16-31(21,26)7/h10,18,22-29,37-39H,11-17H2,1-9H3/t22-,23-,24+,25+,26+,27-,28+,29-,31+,32-,33+,34+/m0/s1
SMILES [C@H]12[C@@](CC[C@@]3([C@@]1(CC=C1[C@H]3[C@H](C[C@H]3[C@@]1(C[C@H]([C@@H](C3(C)C)O)OC(=O)C)C)O)C)C)([C@@H](C[C@H]2O)C(C)C)COC(=O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRubiaceaeRubia yunnanensis Ref.
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