Concept information
Preferred term
2-[2-[5-[4-[4,5-dihydroxy-6-methyl-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxy-1,2,4a,5-tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]-3-methylpent-1-en-3-yl]oxy-5-hydroxy-6-methyl-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-4-yl]oxy-6-methyloxane-3,4,5-triol
Type
-
http://www.irandoc.ac.ir/onto/irandoc-meta/Concept
Broader concept
charge
- 0
formula
- C50H84O22
inchi
- InChI=1S/C50H84O22/c1-12-48(9,72-47-42(71-45-39(62)35(58)30(53)23(6)65-45)40(32(55)25(8)67-47)69-43-37(60)33(56)28(51)21(4)63-43)16-17-49(10)20(3)18-27(50(11)19(2)14-13-15-26(49)50)68-46-41(36(59)31(54)24(7)66-46)70-44-38(61)34(57)29(52)22(5)64-44/h12,14,20-47,51-62H,1,13,15-18H2,2-11H3
inchikey
- CEERFMUHIRRAPN-UHFFFAOYSA-N
mass
- 1037.200
monoisotopicmass
- 1036.54542
smiles
- O(C1C2(C(C(C(C1)C)(CCC(OC3OC(C(O)C(OC4OC(C(O)C(O)C4O)C)C3OC5OC(C(O)C(O)C5O)C)C)(C)C=C)C)CCC=C2C)C)C6OC(C(O)C(O)C6OC7OC(C(O)C(O)C7O)C)C
subset
- 2_STAR
synonym EXACT
- 2-[2-[5-[4-[4,5-dihydroxy-6-methyl-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxy-1,2,4a,5-tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]-3-methylpent-1-en-3-yl]oxy-5-hydroxy-6-methyl-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-4-yl]oxy-6-methyloxane-3,4,5-triol
URI
http://www.irandoc.acir/onto/irandoc/CHEBI:182661
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