input word = C00031234

Metabolite InformationStructural formula
Name Rubianol a
Formula C30H48O5
Mw 488.35017464
CAS RN 551930-30-4
C_ID C00031234 ,
InChIKey ZAGSMKWHSPITNU-PTCICENRNA-N
InChICode InChI=1S/C30H48O5/c1-16(2)18-12-20(33)24-29(7)9-8-17-23(28(29,6)10-11-30(18,24)15-31)19(32)13-22-26(3,4)25(35)21(34)14-27(17,22)5/h8,16,18-24,31-34H,9-15H2,1-7H3/t18-,19-,20+,21+,22+,23-,24+,27+,28-,29+,30+/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(=O)C3(C)C)O)C)O)C)C)([C@@H](C[C@H]2O)C(C)C)CO
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRubiaceaeRubia yunnanensis Ref.
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