input word = C00044739

Metabolite InformationStructural formula
Name Elegain
Formula C30H40O7
Mw 512.27740363
CAS RN 583850-79-7
C_ID C00044739 ,
InChIKey UPUCZQWCCLUQMO-MJHBTFSHNA-N
InChICode InChI=1S/C30H40O7/c1-15-6-8-20(17(3)12-25-27(23(32)10-15)19(5)29(34)36-25)14-21-28-24(33)11-16(2)7-9-22(31)18(4)13-26(28)37-30(21)35/h10-13,20-28,31-33H,5-9,14H2,1-4H3/b15-10+,16-11+,17-12+,18-13+/t20-,21-,22+,23+,24+,25-,26-,27+,28+/m1/s1
SMILES C1C/C(=C/[C@@H]([C@H]2[C@@H](/C=C(/[C@H]1O)\C)OC(=O)[C@@H]2C[C@@H]1/C(=C/[C@@H]2[C@H]([C@H](/C=C(/CC1)\C)O)C(=C)C(=O)O2)/C)O)/C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeGonospermum elegans Ref.
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