input word = C00055807

Metabolite InformationStructural formula
Name Doitunggarcinone B
Formula C33H42O4
Mw 502.30830983
CAS RN 1399840-33-5
C_ID C00055807
InChIKey KZQHDFRQPFUKHN-OEDLEKSESA-N
InChICode InChI=1S/C33H42O4/c1-21(2)13-14-25-19-32(18-16-23(5)6)29(36)31(17-15-22(3)4)20-30(25,7)33(32,37)26(28(31)35)27(34)24-11-9-8-10-12-24/h8-12,15-16,25,34,37H,1,13-14,17-20H2,2-7H3/b27-26+/t25-,30+,31+,32+,33-/m0/s1
SMILES C=C(C)CC[C@H]1C[C@]2(CC=C(C)C)C(=O)[C@]3(CC=C(C)C)C[C@@]1(C)[C@@]2(O)/C(=C(/O)c1ccccc1)C3=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeClusiaceae/Clusiaceae-GuttiferaeGarcinia propinqua Ref.
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OrganismGarcinia propinqua
ReferenceAravind, A. P. A et al., Diversity of Garcinia species in the Western Ghats: Phytochemical Perspective, Chapter 2, (2016), p.19-70.