input word = C00041498

Metabolite InformationStructural formula
Name Dichapetalin A
(+)-Dichapetalin A
Formula C38H48O5
Mw 584.35017464
CAS RN 180961-80-2
C_ID C00041498 ,
InChIKey LRJFCTOUXFAGON-FRTLAGCKNA-N
InChICode InChI=1S/C38H48O5/c1-23(20-39)16-26-18-27(33(41)43-26)28-11-15-38-21-37(28,38)14-12-30-34(2)13-10-25-17-29(24-8-6-5-7-9-24)42-22-35(25,3)31(34)19-32(40)36(30,38)4/h5-10,12,14,16,26-32,39-40H,11,13,15,17-22H2,1-4H3/b23-16+/t26-,27-,28-,29-,30+,31+,32+,34+,35-,36-,37?,38+/m0/s1
SMILES C1=C[C@@]23[C@]([C@]4([C@H]1[C@@]1([C@@H](C[C@H]4O)[C@@]4(C(=CC1)C[C@H](OC4)c1ccccc1)C)C)C)(CC[C@H]2[C@H]1C(=O)O[C@H](C1)/C=C(\C)/CO)C3
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeDichapetalaceaeDichapetalum gelonioides Ref.
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